(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
Formula:C20H17N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide |
| MolecularFormula | C20H17N3O6S |
| Smiles | [O-][N+](c1c(/C=C/C(Nc(cc2)ccc2S(NCc2ccco2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C20H17N3O6S/c24-20(12-7-15-4-1-2-6-19(15)23(25)26)22-16-8-10-18(11-9-16)30(27,28)21-14-17-5-3-13-29-17/h1-13,21H,14H2,(H,22,24) |
| InChIK | SZOZUWOYHZMVLT-UHFFFAOYSA-N |
| TotalMolweight | 427.436 |
| Molweight | 427.436 |
| MonoisotopicMass | 427.083807 |
| CLogP | 1.9469 |
| CLogS | -4.516 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 315.65 |
| Relative PSA | 0.34554 |
| PolarSurfaceArea | 142.61 |
| Druglikeness | -3.3303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide | 2 - (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off