(E)-3-(furan-2-yl)-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
Formula:C23H23N3O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide |
| MolecularFormula | C23H23N3O4S |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)ccc1S(N(CCCC1)C1c1cnccc1)(=O)=O |
| InChI | InChI=1S/C23H23N3O4S/c27-23(13-10-20-6-4-16-30-20)25-19-8-11-21(12-9-19)31(28,29)26-15-2-1-7-22(26)18-5-3-14-24-17-18/h3-6,8-14,16-17,22H,1-2,7,15H2,(H,25,27)/t22-/m0/s1 |
| InChIK | UVARWQOFOKZCBT-QFIPXVFZSA-N |
| TotalMolweight | 437.519 |
| Molweight | 437.519 |
| MonoisotopicMass | 437.140927 |
| CLogP | 3.0471 |
| CLogS | -3.574 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 329.86 |
| Relative PSA | 0.24771 |
| PolarSurfaceArea | 100.89 |
| Druglikeness | 2.4779 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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