N-[2-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide
Formula:C21H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide is a drug-like molecule.
| MolName | N-[2-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide |
| MolecularFormula | C21H19N3O3S |
| Smiles | O=C(/C=C/Nc(cccc1)c1NS(Cc1ccccc1)(=O)=O)c1cnccc1 |
| InChI | InChI=1S/C21H19N3O3S/c25-21(18-9-6-13-22-15-18)12-14-23-19-10-4-5-11-20(19)24-28(26,27)16-17-7-2-1-3-8-17/h1-15,23-24H,16H2 |
| InChIK | AUMHQSULLNKCMJ-UHFFFAOYSA-N |
| TotalMolweight | 393.466 |
| Molweight | 393.466 |
| MonoisotopicMass | 393.114712 |
| CLogP | 2.0065 |
| CLogS | -5.659 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 301.05 |
| Relative PSA | 0.25082 |
| PolarSurfaceArea | 96.54 |
| Druglikeness | -2.3816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide | 2 - N-[2-[[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide
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