2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C23H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C23H21N3O5S |
| Smiles | O=C(CN(Cc1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H21N3O5S/c27-23(25-24-14-19-11-12-21-22(13-19)31-17-30-21)16-26(15-18-7-3-1-4-8-18)32(28,29)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27) |
| InChIK | CLLWQBSWCRUPNV-UHFFFAOYSA-N |
| TotalMolweight | 451.502 |
| Molweight | 451.502 |
| MonoisotopicMass | 451.120192 |
| CLogP | 3.5946 |
| CLogS | -4.656 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 333.41 |
| Relative PSA | 0.26436 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.49058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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