(E)-3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
Formula:C19H19N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C19H19N2O3FS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1cccc(S(N2CCCC2)(=O)=O)c1 |
| InChI | InChI=1S/C19H19FN2O3S/c20-16-9-6-15(7-10-16)8-11-19(23)21-17-4-3-5-18(14-17)26(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2,(H,21,23) |
| InChIK | WXZZYPYJCBGOQP-UHFFFAOYSA-N |
| TotalMolweight | 374.435 |
| Molweight | 374.435 |
| MonoisotopicMass | 374.110041 |
| CLogP | 3.1019 |
| CLogS | -3.637 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.5 |
| Relative PSA | 0.20555 |
| PolarSurfaceArea | 74.86 |
| Druglikeness | -4.1142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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