(E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
Formula:C18H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C18H15N3OS |
| Smiles | N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1cccs1 |
| InChI | InChI=1S/C18H15N3OS/c19-11-14(10-15-4-3-9-23-15)18(22)20-8-7-13-12-21-17-6-2-1-5-16(13)17/h1-6,9-10,12,21H,7-8H2,(H,20,22) |
| InChIK | UUMKFWNWTWLXPQ-UHFFFAOYSA-N |
| TotalMolweight | 321.403 |
| Molweight | 321.403 |
| MonoisotopicMass | 321.093582 |
| CLogP | 3.0338 |
| CLogS | -4.233 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256.28 |
| Relative PSA | 0.28254 |
| PolarSurfaceArea | 96.92 |
| Druglikeness | 0.50618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off