3-morpholin-4-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C16H17N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C16H17N3O4S2 |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C16H17N3O4S2/c20-16(18-17-11-13-4-9-24-12-13)14-2-1-3-15(10-14)25(21,22)19-5-7-23-8-6-19/h1-4,9-12H,5-8H2,(H,18,20) |
| InChIK | KSYKATYYXVQFDA-UHFFFAOYSA-N |
| TotalMolweight | 379.46 |
| Molweight | 379.46 |
| MonoisotopicMass | 379.066047 |
| CLogP | 2.0288 |
| CLogS | -2.827 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 273.35 |
| Relative PSA | 0.36034 |
| PolarSurfaceArea | 124.69 |
| Druglikeness | 0.71107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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