2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C25H26N3O3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C25H26N3O3ClS |
| Smiles | O=C(CN(C1CCCCC1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C25H26ClN3O3S/c26-21-13-15-23(16-14-21)33(31,32)29(22-10-2-1-3-11-22)18-25(30)28-27-17-20-9-6-8-19-7-4-5-12-24(19)20/h4-9,12-17,22H,1-3,10-11,18H2,(H,28,30) |
| InChIK | HRTVHALJQGMNAL-UHFFFAOYSA-N |
| TotalMolweight | 484.018 |
| Molweight | 484.018 |
| MonoisotopicMass | 483.138339 |
| CLogP | 5.4212 |
| CLogS | -6.538 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 357.45 |
| Relative PSA | 0.19063 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -1.4934 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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