2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H17N3O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H17N3O3Cl2S2 |
| Smiles | O=C(CN(Cc(ccc(Cl)c1)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H17Cl2N3O3S2/c21-16-9-8-15(19(22)11-16)13-25(30(27,28)18-6-2-1-3-7-18)14-20(26)24-23-12-17-5-4-10-29-17/h1-12H,13-14H2,(H,24,26) |
| InChIK | KJSWGMUHIWOYFH-UHFFFAOYSA-N |
| TotalMolweight | 482.411 |
| Molweight | 482.411 |
| MonoisotopicMass | 481.008836 |
| CLogP | 4.5618 |
| CLogS | -5.427 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 339.93 |
| Relative PSA | 0.26035 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 1.4517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off