N-[(Z)-thiophen-2-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C16H13N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C16H13N3O3S3 |
| Smiles | O=C(c(cccc1)c1NS(c1cccs1)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H13N3O3S3/c20-16(18-17-11-12-5-3-9-23-12)13-6-1-2-7-14(13)19-25(21,22)15-8-4-10-24-15/h1-11,19H,(H,18,20) |
| InChIK | GDGYFQKTNFSINM-UHFFFAOYSA-N |
| TotalMolweight | 391.495 |
| Molweight | 391.495 |
| MonoisotopicMass | 391.011902 |
| CLogP | 3.3564 |
| CLogS | -4.981 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 278.67 |
| Relative PSA | 0.41903 |
| PolarSurfaceArea | 152.49 |
| Druglikeness | 7.0817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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