<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">317370</id>
  <title nil="true"/>
  <common-name>N-[4-[(n'-benzyl-n-prop-2-ynylcarbamimidoyl)sulfamoyl]phenyl]acetamide</common-name>
  <description>N-[4-[(n'-benzyl-n-prop-2-ynylcarbamimidoyl)sulfamoyl]phenyl]acetamide is a compound with the formula C19H20N4O3S. It has an average molecular weight of 384.50 g/mol.</description>
  <cas>71795-24-9</cas>
  <pubchem-id>3054809</pubchem-id>
  <chemical-formula>C19H20N4O3S</chemical-formula>
  <weight>384.5</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">2026-08-29T15:29:05Z</created-at>
  <updated-at type="dateTime">2026-08-29T15:29:05Z</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>CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)NCC#C</moldb-smiles>
  <moldb-formula>C19H20N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H20N4O3S/c1-3-13-20-19(21-14-16-7-5-4-6-8-16)23-27(25,26)18-11-9-17(10-12-18)22-15(2)24/h1,4-12H,13-14H2,2H3,(H,22,24)(H2,20,21,23)</moldb-inchi>
  <moldb-inchikey>YEJVSCMGMWOVFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">384.1256117</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM313263</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>N-[4-[(n'-benzyl-n-prop-2-ynylcarbamimidoyl)sulfamoyl]phenyl]acetamide</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>Benzenesulfonamides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0268192</sync-id>
  <structure-inchikey>YEJVSCMGMWOVFF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000104000000000024000000000000001001001000020000080004000000000000000000000000000200000020000200000000000000000000000020000020000000001004000000000000000000010000000010400000001000000010000000000000020000000000400000000040200400800000000000000080800000000500000000000000000000000000000000000000000000080000000000000000000000080000000000000000000000000000000000000000000020000000200000000000008220000000000000008000000000200040004000000400000000000000000000000008000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������� ������(�������(�������h��������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h��������h��������`�������(�������h������������(��� �� ��h���h���h���h��	h��
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  <structure-indexed-at type="dateTime">2026-09-19T05:23:13Z</structure-indexed-at>
</compound>
