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A1BKX

Summary
Name:(4M)-N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methylpyridin-2-yl)thiophene-2-carboxamide
Formula:C18 H16 Cl N3 O3 S2
Formal charge:0
Formula weight:421.921 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(4M)-N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methylpyridin-2-yl)thiophene-2-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[3-chloranyl-5-(methylsulfonylamino)phenyl]-4-(3-methylpyridin-2-yl)thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CS(=O)(=O)Nc1cc(cc(Cl)c1)NC(=O)c1cc(cs1)c1ncccc1C
InChIInChI1.06InChI=1S/C18H16ClN3O3S2/c1-11-4-3-5-20-17(11)12-6-16(26-10-12)18(23)21-14-7-13(19)8-15(9-14)22-27(2,24)25/h3-10,22H,1-2H3,(H,21,23)
InChIKeyInChI1.06VDGNPEFFHQRGOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccnc1c2csc(c2)C(=O)Nc3cc(Cl)cc(N[S](C)(=O)=O)c3
SMILESCACTVS3.385Cc1cccnc1c2csc(c2)C(=O)Nc3cc(Cl)cc(N[S](C)(=O)=O)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccnc1c2cc(sc2)C(=O)Nc3cc(cc(c3)Cl)NS(=O)(=O)C
SMILESOpenEye OEToolkits3.1.0.0Cc1cccnc1c2cc(sc2)C(=O)Nc3cc(cc(c3)Cl)NS(=O)(=O)C

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PDB entries from 2026-02-18

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