(E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C14H13N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C14H13N3O3S3 |
| Smiles | NS(c(cc1)ccc1NC(NC(/C=C/c1cccs1)=O)=S)(=O)=O |
| InChI | InChI=1S/C14H13N3O3S3/c15-23(19,20)12-6-3-10(4-7-12)16-14(21)17-13(18)8-5-11-2-1-9-22-11/h1-9H,(H2,15,19,20)(H2,16,17,18,21) |
| InChIK | NINHRLPZZXVRHN-UHFFFAOYSA-N |
| TotalMolweight | 367.473 |
| Molweight | 367.473 |
| MonoisotopicMass | 367.011902 |
| CLogP | 1.9493 |
| CLogS | -3.952 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 265.94 |
| Relative PSA | 0.48195 |
| PolarSurfaceArea | 170 |
| Druglikeness | 3.4639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(4-sulfamoylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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