N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G856-4397 |
| Compound Name: | N-[2-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 429.51 |
| Molecular Formula: | C21 H19 N O5 S2 |
| Smiles: | Cc1ccc(cc1)S(C(CNC(c1ccc2c(c1)OCO2)=O)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6495 |
| logD: | 3.6495 |
| logSw: | -3.8379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.286 |
| InChI Key: | QSRVDJKPXYTRMZ-FQEVSTJZSA-N |