2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C19H16N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H16N4O5S2 |
| Smiles | [O-][N+](c(cccc1)c1S(N(CC(N/N=C\c1cccs1)=O)c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H16N4O5S2/c24-19(21-20-13-16-9-6-12-29-16)14-22(15-7-2-1-3-8-15)30(27,28)18-11-5-4-10-17(18)23(25)26/h1-13H,14H2,(H,21,24) |
| InChIK | FTXQWXNKIRFXLX-UHFFFAOYSA-N |
| TotalMolweight | 444.491 |
| Molweight | 444.491 |
| MonoisotopicMass | 444.056211 |
| CLogP | 1.9958 |
| CLogS | -5.396 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 319 |
| Relative PSA | 0.37279 |
| PolarSurfaceArea | 161.28 |
| Druglikeness | 1.027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(N-(2-nitrophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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