N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]thiophene-2-carboxamide
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D715-2113 |
| Compound Name: | N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C22 H26 N2 O3 S2 |
| Smiles: | CC(C)Cn1c(C)c(C)c(c1NC(c1cccs1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0974 |
| logD: | 5.0847 |
| logSw: | -4.7703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.49 |
| InChI Key: | JJDJXIHMWUJKCX-UHFFFAOYSA-N |