(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
Formula:C20H21N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C20H21N2O3ClS |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O |
| InChI | InChI=1S/C20H21ClN2O3S/c21-17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)27(25,26)23-14-2-1-3-15-23/h4-13H,1-3,14-15H2,(H,22,24) |
| InChIK | BHXKHDBUEIIWEW-UHFFFAOYSA-N |
| TotalMolweight | 404.917 |
| Molweight | 404.917 |
| MonoisotopicMass | 404.09614 |
| CLogP | 3.9491 |
| CLogS | -4.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.33 |
| Relative PSA | 0.18982 |
| PolarSurfaceArea | 74.86 |
| Druglikeness | 2.3943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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