dimethyl 5-[3-(benzenesulfonyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(benzenesulfonyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-[3-(benzenesulfonyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 4112-4316 |
| Compound Name: | dimethyl 5-[3-(benzenesulfonyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C18 H19 N O7 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CCS(c2ccccc2)(=O)=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.833 |
| logD: | -1.0651 |
| logSw: | -2.407 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.295 |
| InChI Key: | XTPXMAZBRNEDMM-UHFFFAOYSA-N |