(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-phenylprop-2-enamide
Formula:C24H29N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C24H29N3O4S |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCCCC1 |
| InChI | InChI=1S/C24H29N3O4S/c28-24(12-9-20-7-3-1-4-8-20)25-22-19-21(32(29,30)27-15-17-31-18-16-27)10-11-23(22)26-13-5-2-6-14-26/h1,3-4,7-12,19H,2,5-6,13-18H2,(H,25,28) |
| InChIK | YMMWDQZOCXBLMH-UHFFFAOYSA-N |
| TotalMolweight | 455.577 |
| Molweight | 455.577 |
| MonoisotopicMass | 455.187877 |
| CLogP | 3.0121 |
| CLogS | -3.696 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 344.75 |
| Relative PSA | 0.20357 |
| PolarSurfaceArea | 87.33 |
| Druglikeness | -0.78205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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