(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C22H24N3O3FS2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C22H24N3O3FS2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C22H24FN3O3S2/c23-17-9-6-16(7-10-17)8-15-21(27)25-22(30)24-18-11-13-20(14-12-18)31(28,29)26-19-4-2-1-3-5-19/h6-15,19,26H,1-5H2,(H2,24,25,27,30) |
| InChIK | RBZDPVZUZSMDFH-UHFFFAOYSA-N |
| TotalMolweight | 461.581 |
| Molweight | 461.581 |
| MonoisotopicMass | 461.12431 |
| CLogP | 4.1006 |
| CLogS | -5.484 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 347.09 |
| Relative PSA | 0.29963 |
| PolarSurfaceArea | 127.77 |
| Druglikeness | -3.4133 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
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