2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
Formula:C21H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide is a drug-like molecule.
| MolName | 2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide |
| MolecularFormula | C21H18N2O4S |
| Smiles | Cc1cccc(OCC(Nc(cc2)ccc2Sc(cc2)ccc2[N+]([O-])=O)=O)c1 |
| InChI | InChI=1S/C21H18N2O4S/c1-15-3-2-4-18(13-15)27-14-21(24)22-16-5-9-19(10-6-16)28-20-11-7-17(8-12-20)23(25)26/h2-13H,14H2,1H3,(H,22,24) |
| InChIK | BHWNUGFFDSXXGX-UHFFFAOYSA-N |
| TotalMolweight | 394.45 |
| Molweight | 394.45 |
| MonoisotopicMass | 394.098728 |
| CLogP | 3.6254 |
| CLogS | -5.498 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.17 |
| Relative PSA | 0.27546 |
| PolarSurfaceArea | 109.45 |
| Druglikeness | -3.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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