(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C20H23N3O3S3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H23N3O3S3 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C20H23N3O3S3/c24-19(13-10-17-7-4-14-28-17)22-20(27)21-15-8-11-18(12-9-15)29(25,26)23-16-5-2-1-3-6-16/h4,7-14,16,23H,1-3,5-6H2,(H2,21,22,24,27) |
| InChIK | IWYXUIBQTNOETQ-UHFFFAOYSA-N |
| TotalMolweight | 449.619 |
| Molweight | 449.619 |
| MonoisotopicMass | 449.090152 |
| CLogP | 3.8664 |
| CLogS | -5.18 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 336.68 |
| Relative PSA | 0.36937 |
| PolarSurfaceArea | 156.01 |
| Druglikeness | -1.0074 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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