(E)-2-cyano-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenylprop-2-enamide
Formula:C21H17N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C21H17N3O4S |
| Smiles | N#C/C(/C(Nc1cccc(S(NCc2ccco2)(=O)=O)c1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N3O4S/c22-14-17(12-16-6-2-1-3-7-16)21(25)24-18-8-4-10-20(13-18)29(26,27)23-15-19-9-5-11-28-19/h1-13,23H,15H2,(H,24,25) |
| InChIK | JFWVQKUGVGHPSQ-UHFFFAOYSA-N |
| TotalMolweight | 407.449 |
| Molweight | 407.449 |
| MonoisotopicMass | 407.093977 |
| CLogP | 2.7205 |
| CLogS | -4.328 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 311.9 |
| Relative PSA | 0.29564 |
| PolarSurfaceArea | 120.58 |
| Druglikeness | -6.2281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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