N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide
Formula:C18H13NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide |
| MolecularFormula | C18H13NO2S2 |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1NC(c1cccs1)=O |
| InChI | InChI=1S/C18H13NO2S2/c20-16(10-9-15-3-1-11-22-15)13-5-7-14(8-6-13)19-18(21)17-4-2-12-23-17/h1-12H,(H,19,21) |
| InChIK | BAIFHCKMDIPBSN-UHFFFAOYSA-N |
| TotalMolweight | 339.438 |
| Molweight | 339.438 |
| MonoisotopicMass | 339.038769 |
| CLogP | 4.1845 |
| CLogS | -5.372 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.12 |
| Relative PSA | 0.30319 |
| PolarSurfaceArea | 102.65 |
| Druglikeness | 4.1721 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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