N-[(Z)-(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C17H17N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C17H17N3O4S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C17H17N3O4S2/c21-15-4-1-3-14(11-15)18-19-17(22)12-6-8-13(9-7-12)20-26(23,24)16-5-2-10-25-16/h2,5-10,20H,1,3-4,11H2,(H,19,22) |
| InChIK | NHONYNQEJPMGQE-UHFFFAOYSA-N |
| TotalMolweight | 391.471 |
| Molweight | 391.471 |
| MonoisotopicMass | 391.066047 |
| CLogP | 2.5321 |
| CLogS | -4.485 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 280.47 |
| Relative PSA | 0.39024 |
| PolarSurfaceArea | 141.32 |
| Druglikeness | 1.3237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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