(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
Formula:C18H20N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C18H20N2O3S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O |
| InChI | InChI=1S/C18H20N2O3S2/c21-18(11-8-16-5-4-14-24-16)19-15-6-9-17(10-7-15)25(22,23)20-12-2-1-3-13-20/h4-11,14H,1-3,12-13H2,(H,19,21) |
| InChIK | GUFIEAXYFGVTAQ-UHFFFAOYSA-N |
| TotalMolweight | 376.5 |
| Molweight | 376.5 |
| MonoisotopicMass | 376.091533 |
| CLogP | 3.2097 |
| CLogS | -3.603 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.85 |
| Relative PSA | 0.2761 |
| PolarSurfaceArea | 103.1 |
| Druglikeness | 3.0929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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