N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methylbenzene-1-sulfonyl)amino]benzamide
Chemical Structure Depiction of
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methylbenzene-1-sulfonyl)amino]benzamide
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methylbenzene-1-sulfonyl)amino]benzamide
Compound characteristics
Compound ID: | 2513-0553 |
Compound Name: | N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methylbenzene-1-sulfonyl)amino]benzamide |
Molecular Weight: | 465.59 |
Molecular Formula: | C24 H23 N3 O3 S2 |
Smiles: | CC1CCc2c(C1)c(C#N)c(NC(c1ccccc1NS(c1ccc(C)cc1)(=O)=O)=O)s2 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2001 |
logD: | 3.1303 |
logSw: | -5.0342 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.053 |
InChI Key: | IQBIMXCIKARYGP-MRXNPFEDSA-N |