N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C15H16N4O6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C15H16N4O6S2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(CC2)CCN2S(c2cccs2)(=O)=O)=O)o1)=O |
| InChI | InChI=1S/C15H16N4O6S2/c20-15(17-16-10-12-3-4-13(25-12)19(21)22)11-5-7-18(8-6-11)27(23,24)14-2-1-9-26-14/h1-4,9-11H,5-8H2,(H,17,20) |
| InChIK | PTACDEOTOMRTEP-UHFFFAOYSA-N |
| TotalMolweight | 412.446 |
| Molweight | 412.446 |
| MonoisotopicMass | 412.051126 |
| CLogP | 1.5239 |
| CLogS | -4.022 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 289.21 |
| Relative PSA | 0.45998 |
| PolarSurfaceArea | 174.42 |
| Druglikeness | 6.1286 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide | 2 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off