331960 <common-name>2-methoxy-5-methylsulfonyl-n-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide</common-name> <description>2-methoxy-5-methylsulfonyl-n-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide is a chemical compound with the formula C22H26F3N3O4S. It has an average molecular weight of 485.50 g/mol.</description> <cas>82608-06-8</cas> <pubchem-id>54894</pubchem-id> <chemical-formula>C22H26F3N3O4S</chemical-formula> <weight>485.5</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">2026-08-30T12:59:58Z</created-at> <updated-at type="dateTime">2026-08-30T12:59:58Z</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>COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F</moldb-smiles> <moldb-formula>C22H26F3N3O4S</moldb-formula> <moldb-inchi>InChI=1S/C22H26F3N3O4S/c1-32-20-7-6-18(33(2,30)31)15-19(20)21(29)26-8-9-27-10-12-28(13-11-27)17-5-3-4-16(14-17)22(23,24)25/h3-7,14-15H,8-13H2,1-2H3,(H,26,29)</moldb-inchi> <moldb-inchikey>HAJTXSJCRLTGNH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">485.159612</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM327853</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-methoxy-5-methylsulfonyl-n-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide</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>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282487</sync-id> <structure-inchikey>HAJTXSJCRLTGNH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000040002080020000200000000000000000000400000000100040000000000000000100000002000000000000010000000000000000000200800000000000000000000020000000000000002000100001090000300000000000000000000001400000004000000010000000000002010000000000000000000000000100404000000080000000000000408000000000000000000000000008000800000000040000000000000008000000004000000004000008a000000800200080000000000000000000000000000000100000000000000000000200200000010000000040000000000040000000008400800000000020000100000040000000</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����������� ���h������h�B�����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:19Z</structure-indexed-at> </compound>