2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 2513-0656 |
| Compound Name: | 2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | CC1CCc2c(C1)c(C(N)=O)c(NC(c1ccc(cc1)S(N(CCC#N)CCC#N)(=O)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1716 |
| logD: | -0.9018 |
| logSw: | -2.4163 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.691 |
| InChI Key: | ANXHHGSRYDHAQD-OAHLLOKOSA-N |