| MolName | (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C23H21N3O4S |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1 |
| InChI | InChI=1S/C23H21N3O4S/c24-16-19(23(27)25-14-13-18-7-3-1-4-8-18)15-20-11-12-21(30-20)17-26-31(28,29)22-9-5-2-6-10-22/h1-12,15,26H,13-14,17H2,(H,25,27) |
| InChIK | ZIXMWYJFZSGQSG-UHFFFAOYSA-N |
| TotalMolweight | 435.503 |
| Molweight | 435.503 |
| MonoisotopicMass | 435.125277 |
| CLogP | 2.914 |
| CLogS | -4.28 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.42 |
| Relative PSA | 0.27167 |
| PolarSurfaceArea | 120.58 |
| Druglikeness | -5.7404 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide | 2 - (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide