N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
Formula:C20H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide |
| MolecularFormula | C20H18N2O3S2 |
| Smiles | COc(cc1)ccc1NC(CSc(cccc1)c1NC(c1cccs1)=O)=O |
| InChI | InChI=1S/C20H18N2O3S2/c1-25-15-10-8-14(9-11-15)21-19(23)13-27-17-6-3-2-5-16(17)22-20(24)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24) |
| InChIK | NUHISMATEVFFQS-UHFFFAOYSA-N |
| TotalMolweight | 398.506 |
| Molweight | 398.506 |
| MonoisotopicMass | 398.075883 |
| CLogP | 3.964 |
| CLogS | -5.21 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.65 |
| Relative PSA | 0.32214 |
| PolarSurfaceArea | 120.97 |
| Druglikeness | 3.5093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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