(E)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
Formula:C17H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H18N2O3S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C17H18N2O3S2/c20-17(10-7-15-4-3-13-23-15)18-14-5-8-16(9-6-14)24(21,22)19-11-1-2-12-19/h3-10,13H,1-2,11-12H2,(H,18,20) |
| InChIK | FKGOZHBIAOPVER-UHFFFAOYSA-N |
| TotalMolweight | 362.473 |
| Molweight | 362.473 |
| MonoisotopicMass | 362.075883 |
| CLogP | 2.8677 |
| CLogS | -3.333 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.09 |
| Relative PSA | 0.29043 |
| PolarSurfaceArea | 103.1 |
| Druglikeness | 4.7581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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