2-[N-(benzenesulfonyl)-4-ethylanilino]-N-benzyl-N-methylacetamide
Formula:C24H26N2O3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-benzyl-N-methylacetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-benzyl-N-methylacetamide |
| MolecularFormula | C24H26N2O3S |
| Smiles | CCc(cc1)ccc1N(CC(N(C)Cc1ccccc1)=O)S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C24H26N2O3S/c1-3-20-14-16-22(17-15-20)26(30(28,29)23-12-8-5-9-13-23)19-24(27)25(2)18-21-10-6-4-7-11-21/h4-17H,3,18-19H2,1-2H3 |
| InChIK | ILCUPHUOACNMRF-UHFFFAOYSA-N |
| TotalMolweight | 422.547 |
| Molweight | 422.547 |
| MonoisotopicMass | 422.166413 |
| CLogP | 3.3917 |
| CLogS | -4.29 |
| H Acceptors | 5 |
| TotalSurfaceArea | 325.51 |
| Relative PSA | 0.14967 |
| PolarSurfaceArea | 66.07 |
| Druglikeness | -1.5232 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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