ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
Formula:C23H30N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate is not a drug-like molecule.
| MolName | ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate |
| MolecularFormula | C23H30N2O4S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2ccc(C(C)C)cc2)=O)s1)=O |
| InChI | InChI=1S/C23H30N2O4S/c1-7-25(8-2)22(27)19-15(6)18(23(28)29-9-3)21(30-19)24-20(26)17-12-10-16(11-13-17)14(4)5/h10-14H,7-9H2,1-6H3,(H,24,26) |
| InChIK | HSRKEFXKFWHDMM-UHFFFAOYSA-N |
| TotalMolweight | 430.567 |
| Molweight | 430.567 |
| MonoisotopicMass | 430.192628 |
| CLogP | 5.2314 |
| CLogS | -5.187 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 341.31 |
| Relative PSA | 0.24755 |
| PolarSurfaceArea | 103.95 |
| Druglikeness | 2.3691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off