<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339682</id>
  <title nil="true"/>
  <common-name>2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate</common-name>
  <description>2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate has the chemical formula C24H28F9N3O8S. With an average molecular weight of 689.50 g/mol, 2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate is a heavy molecule.</description>
  <cas>68298-76-0</cas>
  <pubchem-id>109282</pubchem-id>
  <chemical-formula>C24H28F9N3O8S</chemical-formula>
  <weight>689.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T23:02:39Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:02:39Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCN(CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OC(C)COC(=O)C(=C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F</moldb-smiles>
  <moldb-formula>C24H28F9N3O8S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28F9N3O8S/c1-6-36(45(40,41)24(32,33)22(27,28)21(25,26)23(29,30)31)9-10-42-19(38)34-16-8-7-14(4)17(11-16)35-20(39)44-15(5)12-43-18(37)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,34,38)(H,35,39)</moldb-inchi>
  <moldb-inchikey>ZNHAMOMCVOBRLM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">689.1453395</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM335575</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylcarbamic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290100</sync-id>
  <structure-inchikey>ZNHAMOMCVOBRLM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400400000000001004008000000022000000100800000081000000000000000200000010020000000000000200000000000000000000000000000000000000000000001400000000000000000000000000202000000001000000000000000400000000000500000000100000001042000000080008000000000000000000044200000000c00000004000000000000000a0400000000a00000080000000000000000000000002800000000200080102000010000000040080082000000000400000000000000000000040000040000000080000100000002000004202000000000000008000000100000040000000000500800001000000000008000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAtAAAALQAAAIABBgBgAAAAAQMGAGAAAAAC
AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICCAAoAAAAAwIGACgAAAADBAgAKAAA
AAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAME
BkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAQMHAGgAAAADAgEGACgAAAADBAgA
KAAAAAMCCAAoAAAAAwIGAGAAAAADAQYAYAAAAAEDBgBgAAAAAgIIACgAAAAD
AgYAKAAAAAMECAAoAAAAAwIGACgAAAADBAYAaAAAAAMCAgYAYAAAAAEDEAAg
AAAABggAKAAAAAMCCAAoAAAAAwIGACAAAAAEBgAgAAAABAYAIAAAAAQGACAA
AAAECQAgAAAAAQkAIAAAAAEJACAAAAABCQAgAAAAAQkAIAAAAAEJACAAAAAB
CQAgAAAAAQkAIAAAAAEJACAAAAABCwABAAECAAIDAAMEAAQFAAUGIAYHKAIG
CCAICSAJCmgMCgtoDAsMaAwMDWgMDQ5oDAwPAAsQIBARIBESKAIREyATFAAU
FQAUFgAWFwAXGCAYGSgCGBogGhsoAhocAAIdAB0eCAIdHwgCHSAAICEAISIA
IiMAIyQAIyUAIyYAIicAIigAISkAISoAICsAICwADgloDEIBAAAABgkODQwL
ChcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:07Z</structure-indexed-at>
</compound>
