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1M8

Summary
Name:5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
Formula:C22 H19 Cl N2 O2 S
Formal charge:0
Formula weight:410.916 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
OpenEye OEToolkits1.7.65-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2sc(c1c(Cl)cccc1)cc2)Nc4cc(C(=O)NC3CC3)ccc4C
InChIInChI1.03InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyInChI1.03BHSHXBRDUHHNCK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1NC(=O)c2sc(cc2)c3ccccc3Cl)C(=O)NC4CC4
SMILESCACTVS3.370Cc1ccc(cc1NC(=O)c2sc(cc2)c3ccccc3Cl)C(=O)NC4CC4
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4

224931

數據於2024-09-11公開中

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