3-piperidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C17H19N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-piperidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-piperidin-1-ylsulfonyl-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C17H19N3O3S2 |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C17H19N3O3S2/c21-17(19-18-12-14-7-10-24-13-14)15-5-4-6-16(11-15)25(22,23)20-8-2-1-3-9-20/h4-7,10-13H,1-3,8-9H2,(H,19,21) |
| InChIK | RFMBVXYQZGYWDL-UHFFFAOYSA-N |
| TotalMolweight | 377.488 |
| Molweight | 377.488 |
| MonoisotopicMass | 377.086782 |
| CLogP | 3.1928 |
| CLogS | -3.716 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.11 |
| Relative PSA | 0.31937 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | -0.38575 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| 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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