2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C26H20N3O3F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C26H20N3O3F3S |
| Smiles | O=C(CN(c1cc(C(F)(F)F)ccc1)S(c1ccccc1)(=O)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H20F3N3O3S/c27-26(28,29)21-11-7-12-22(16-21)32(36(34,35)23-13-2-1-3-14-23)18-25(33)31-30-17-20-10-6-9-19-8-4-5-15-24(19)20/h1-17H,18H2,(H,31,33) |
| InChIK | VAMSKFLRAJRGDK-UHFFFAOYSA-N |
| TotalMolweight | 511.523 |
| Molweight | 511.523 |
| MonoisotopicMass | 511.117746 |
| CLogP | 5.0935 |
| CLogS | -7.31 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.45 |
| Relative PSA | 0.18748 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -7.8626 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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