N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-thiophen-2-ylacetamide
Formula:C21H17NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-thiophen-2-ylacetamide |
| MolecularFormula | C21H17NO2S |
| Smiles | O=C(Cc1cccs1)Nc1cc(C(/C=C/c2ccccc2)=O)ccc1 |
| InChI | InChI=1S/C21H17NO2S/c23-20(12-11-16-6-2-1-3-7-16)17-8-4-9-18(14-17)22-21(24)15-19-10-5-13-25-19/h1-14H,15H2,(H,22,24) |
| InChIK | BRMGLOMOQRJFFD-UHFFFAOYSA-N |
| TotalMolweight | 347.437 |
| Molweight | 347.437 |
| MonoisotopicMass | 347.097999 |
| CLogP | 4.316 |
| CLogS | -5.327 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.94 |
| Relative PSA | 0.20983 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | 4.2917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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