(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
Formula:C22H25N3O3S2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide |
| MolecularFormula | C22H25N3O3S2 |
| Smiles | O=C(/C=C/c1ccccc1)NC(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C22H25N3O3S2/c26-21(16-11-17-7-3-1-4-8-17)24-22(29)23-18-12-14-20(15-13-18)30(27,28)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19,25H,2,5-6,9-10H2,(H2,23,24,26,29) |
| InChIK | LLQNNPIBPDKBMI-UHFFFAOYSA-N |
| TotalMolweight | 443.591 |
| Molweight | 443.591 |
| MonoisotopicMass | 443.133732 |
| CLogP | 3.9998 |
| CLogS | -5.17 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 340.74 |
| Relative PSA | 0.30522 |
| PolarSurfaceArea | 127.77 |
| Druglikeness | -3.6633 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
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