(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
Formula:C26H27N3O3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C26H27N3O3S2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)NC(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C26H27N3O3S2/c30-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)28-26(33)27-21-14-16-23(17-15-21)34(31,32)29-22-10-2-1-3-11-22/h4-9,12-18,22,29H,1-3,10-11H2,(H2,27,28,30,33) |
| InChIK | VUSJNGZKLWXHIX-UHFFFAOYSA-N |
| TotalMolweight | 493.65 |
| Molweight | 493.65 |
| MonoisotopicMass | 493.149382 |
| CLogP | 5.1942 |
| CLogS | -6.776 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 375.34 |
| Relative PSA | 0.27708 |
| PolarSurfaceArea | 127.77 |
| Druglikeness | -2.628 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
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