2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H16N3O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H16N3O3F3S2 |
| Smiles | O=C(CN(c1cc(C(F)(F)F)ccc1)S(c1ccccc1)(=O)=O)N/N=C/c1cccs1 |
| InChI | InChI=1S/C20H16F3N3O3S2/c21-20(22,23)15-6-4-7-16(12-15)26(31(28,29)18-9-2-1-3-10-18)14-19(27)25-24-13-17-8-5-11-30-17/h1-13H,14H2,(H,25,27) |
| InChIK | HBLTXVFUURJPMZ-UHFFFAOYSA-N |
| TotalMolweight | 467.491 |
| Molweight | 467.491 |
| MonoisotopicMass | 467.058516 |
| CLogP | 3.7657 |
| CLogS | -5.714 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.79 |
| Relative PSA | 0.27248 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | -6.2069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
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