ethyl 2-[(2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
Formula:C15H14NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 2-[(2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 2-[(2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate |
| MolecularFormula | C15H14NO3ClS |
| Smiles | CCOC(c1c(NC(c(cccc2)c2Cl)=O)sc(C)c1)=O |
| InChI | InChI=1S/C15H14ClNO3S/c1-3-20-15(19)11-8-9(2)21-14(11)17-13(18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18) |
| InChIK | PHNLNJUEGCIMBX-UHFFFAOYSA-N |
| TotalMolweight | 323.799 |
| Molweight | 323.799 |
| MonoisotopicMass | 323.038291 |
| CLogP | 4.1325 |
| CLogS | -4.809 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.62 |
| Relative PSA | 0.28337 |
| PolarSurfaceArea | 83.64 |
| Druglikeness | -0.69561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 2-[(2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate | 2 - ethyl 2-[(2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off