N-[2-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide
Formula:C26H22N2O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide is a drug-like molecule.
| MolName | N-[2-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide |
| MolecularFormula | C26H22N2O3S |
| Smiles | O=C(/C=C\Nc(cccc1)c1NS(Cc1ccccc1)(=O)=O)c1cccc2ccccc12 |
| InChI | InChI=1S/C26H22N2O3S/c29-26(23-14-8-12-21-11-4-5-13-22(21)23)17-18-27-24-15-6-7-16-25(24)28-32(30,31)19-20-9-2-1-3-10-20/h1-18,27-28H,19H2 |
| InChIK | ZEJGIGFNRJDNIW-UHFFFAOYSA-N |
| TotalMolweight | 442.538 |
| Molweight | 442.538 |
| MonoisotopicMass | 442.135113 |
| CLogP | 4.2018 |
| CLogS | -8.06 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 336.89 |
| Relative PSA | 0.19158 |
| PolarSurfaceArea | 83.65 |
| Druglikeness | -3.7772 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide | 2 - N-[2-[[(Z)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]phenyl]-1-phenylmethanesulfonamide
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