2-[N-(benzenesulfonyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Formula:C19H17N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H17N3O3S2 |
| Smiles | O=C(CN(c1ccccc1)S(c1ccccc1)(=O)=O)N/N=C/c1cccs1 |
| InChI | InChI=1S/C19H17N3O3S2/c23-19(21-20-14-17-10-7-13-26-17)15-22(16-8-3-1-4-9-16)27(24,25)18-11-5-2-6-12-18/h1-14H,15H2,(H,21,23) |
| InChIK | ZNQWLLVVFFJFRR-UHFFFAOYSA-N |
| TotalMolweight | 399.494 |
| Molweight | 399.494 |
| MonoisotopicMass | 399.071132 |
| CLogP | 2.9174 |
| CLogS | -4.936 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.33 |
| Relative PSA | 0.29966 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 0.82972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
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