(E)-N-[(3-phenylpropanoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C17H17N3O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(3-phenylpropanoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3-phenylpropanoylamino)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H17N3O2S2 |
| Smiles | O=C(CCc1ccccc1)NNC(NC(/C=C/c1cccs1)=O)=S |
| InChI | InChI=1S/C17H17N3O2S2/c21-15(11-9-14-7-4-12-24-14)18-17(23)20-19-16(22)10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H,19,22)(H2,18,20,21,23) |
| InChIK | RHHFTBUJFBSFQP-UHFFFAOYSA-N |
| TotalMolweight | 359.473 |
| Molweight | 359.473 |
| MonoisotopicMass | 359.076217 |
| CLogP | 2.4483 |
| CLogS | -4.47 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 285.57 |
| Relative PSA | 0.38106 |
| PolarSurfaceArea | 130.56 |
| Druglikeness | 1.8754 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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