ethyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
Formula:C19H23N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate |
| MolecularFormula | C19H23N3O4S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2cnccc2)=O)s1)=O |
| InChI | InChI=1S/C19H23N3O4S/c1-5-22(6-2)18(24)15-12(4)14(19(25)26-7-3)17(27-15)21-16(23)13-9-8-10-20-11-13/h8-11H,5-7H2,1-4H3,(H,21,23) |
| InChIK | SAISTMMXUBZDQU-UHFFFAOYSA-N |
| TotalMolweight | 389.475 |
| Molweight | 389.475 |
| MonoisotopicMass | 389.140927 |
| CLogP | 3.0435 |
| CLogS | -3.521 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.05 |
| Relative PSA | 0.315 |
| PolarSurfaceArea | 116.84 |
| Druglikeness | 2.5184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off