| MolName | (E)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C23H22N3O5ClS |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H22ClN3O5S/c24-17-3-5-18(6-4-17)26-33(29,30)20-8-9-22(27-11-14-31-15-12-27)21(16-20)25-23(28)10-7-19-2-1-13-32-19/h1-10,13,16,26H,11-12,14-15H2,(H,25,28) |
| InChIK | XTVYQQKGKOERGS-UHFFFAOYSA-N |
| TotalMolweight | 487.963 |
| Molweight | 487.963 |
| MonoisotopicMass | 487.096869 |
| CLogP | 2.8991 |
| CLogS | -5.352 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 355.48 |
| Relative PSA | 0.25937 |
| PolarSurfaceArea | 109.26 |
| Druglikeness | 3.7147 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-(furan-2-yl)prop-2-enamide