N,N-diethyl-4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
Formula:C20H23N3O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N,N-diethyl-4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide is a drug-like molecule.
| MolName | N,N-diethyl-4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide |
| MolecularFormula | C20H23N3O3S2 |
| Smiles | CCN(CC)S(c(cc1)ccc1-c1csc(Nc(cccc2)c2OC)n1)(=O)=O |
| InChI | InChI=1S/C20H23N3O3S2/c1-4-23(5-2)28(24,25)16-12-10-15(11-13-16)18-14-27-20(22-18)21-17-8-6-7-9-19(17)26-3/h6-14H,4-5H2,1-3H3,(H,21,22) |
| InChIK | JFOVLJBBKLGPIL-UHFFFAOYSA-N |
| TotalMolweight | 417.553 |
| Molweight | 417.553 |
| MonoisotopicMass | 417.118082 |
| CLogP | 4.5267 |
| CLogS | -4.462 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.12 |
| Relative PSA | 0.27207 |
| PolarSurfaceArea | 108.15 |
| Druglikeness | 4.8284 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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