[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
Formula:C19H20N2O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate |
| MolecularFormula | C19H20N2O5S2 |
| Smiles | O=C(COC(/C=C/c1cccs1)=O)Nc1cccc(S(N2CCCC2)(=O)=O)c1 |
| InChI | InChI=1S/C19H20N2O5S2/c22-18(14-26-19(23)9-8-16-6-4-12-27-16)20-15-5-3-7-17(13-15)28(24,25)21-10-1-2-11-21/h3-9,12-13H,1-2,10-11,14H2,(H,20,22) |
| InChIK | LMUXVRFUWMQGLF-UHFFFAOYSA-N |
| TotalMolweight | 420.509 |
| Molweight | 420.509 |
| MonoisotopicMass | 420.081363 |
| CLogP | 2.4256 |
| CLogS | -3.236 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.6 |
| Relative PSA | 0.32626 |
| PolarSurfaceArea | 129.4 |
| Druglikeness | -1.5177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate | 2 - [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
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