2-[N-(benzenesulfonyl)anilino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C20H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C20H18N4O3S |
| Smiles | O=C(CN(c1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C20H18N4O3S/c25-20(23-22-15-17-11-13-21-14-12-17)16-24(18-7-3-1-4-8-18)28(26,27)19-9-5-2-6-10-19/h1-15H,16H2,(H,23,25) |
| InChIK | YXKRGORRHGNIJL-UHFFFAOYSA-N |
| TotalMolweight | 394.454 |
| Molweight | 394.454 |
| MonoisotopicMass | 394.109961 |
| CLogP | 2.0499 |
| CLogS | -4.131 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.15 |
| Relative PSA | 0.26534 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.72288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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