ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
Formula:C19H24N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate |
| MolecularFormula | C19H24N2O5S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2c(C)occ2)=O)s1)=O |
| InChI | InChI=1S/C19H24N2O5S/c1-6-21(7-2)18(23)15-11(4)14(19(24)25-8-3)17(27-15)20-16(22)13-9-10-26-12(13)5/h9-10H,6-8H2,1-5H3,(H,20,22) |
| InChIK | JQZJKZOZGAASPL-UHFFFAOYSA-N |
| TotalMolweight | 392.475 |
| Molweight | 392.475 |
| MonoisotopicMass | 392.140593 |
| CLogP | 3.577 |
| CLogS | -4.342 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.24 |
| Relative PSA | 0.32197 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 0.97171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
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