2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C26H23N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C26H23N3O3S |
| Smiles | O=C(CN(Cc1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H23N3O3S/c30-26(28-27-18-23-14-9-13-22-12-7-8-17-25(22)23)20-29(19-21-10-3-1-4-11-21)33(31,32)24-15-5-2-6-16-24/h1-18H,19-20H2,(H,28,30) |
| InChIK | AGXFQLRUOUNVLC-UHFFFAOYSA-N |
| TotalMolweight | 457.553 |
| Molweight | 457.553 |
| MonoisotopicMass | 457.146012 |
| CLogP | 4.6776 |
| CLogS | -5.551 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.75 |
| Relative PSA | 0.19595 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.73312 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[benzenesulfonyl(benzyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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