2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C18H17N3O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C18H17N3O5S |
| Smiles | O=C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H17N3O5S/c22-18(20-19-12-15-6-4-10-25-15)14-21(13-16-7-5-11-26-16)27(23,24)17-8-2-1-3-9-17/h1-12H,13-14H2,(H,20,22) |
| InChIK | BBQGTIUQZHNPGZ-UHFFFAOYSA-N |
| TotalMolweight | 387.415 |
| Molweight | 387.415 |
| MonoisotopicMass | 387.088892 |
| CLogP | 1.8606 |
| CLogS | -3.309 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.53 |
| Relative PSA | 0.3294 |
| PolarSurfaceArea | 113.5 |
| Druglikeness | -0.85437 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off