5-oxo-1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
Formula:C16H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-oxo-1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | 5-oxo-1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide |
| MolecularFormula | C16H15N3O2S |
| Smiles | O=C(C(CC1=O)CN1c1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H15N3O2S/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)/t12-/m0/s1 |
| InChIK | QWLKMIKMDIXLJB-LBPRGKRZSA-N |
| TotalMolweight | 313.38 |
| Molweight | 313.38 |
| MonoisotopicMass | 313.088497 |
| CLogP | 2.5009 |
| CLogS | -4.057 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.5 |
| Relative PSA | 0.3072 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 8.86 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-oxo-1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide | 2 - 5-oxo-1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off