2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
Formula:C17H21N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylsulfanylphenyl)acetamide is a drug-like molecule.
| MolName | 2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylsulfanylphenyl)acetamide |
| MolecularFormula | C17H21N3O3S2 |
| Smiles | CN(C)S(N(CC(Nc(cccc1)c1SC)=O)c1ccccc1)(=O)=O |
| InChI | InChI=1S/C17H21N3O3S2/c1-19(2)25(22,23)20(14-9-5-4-6-10-14)13-17(21)18-15-11-7-8-12-16(15)24-3/h4-12H,13H2,1-3H3,(H,18,21) |
| InChIK | VVMUYWMRWCKYQN-UHFFFAOYSA-N |
| TotalMolweight | 379.504 |
| Molweight | 379.504 |
| MonoisotopicMass | 379.102432 |
| CLogP | 1.7408 |
| CLogS | -3.968 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.44 |
| Relative PSA | 0.27795 |
| PolarSurfaceArea | 103.4 |
| Druglikeness | 4.8601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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