TL;DR: Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate (CAS 1009523-40-3) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-2-phenylacetate
Also Known As: CBKinase1_011265, CBKinase1_023665, TimTec1_006441, methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate, methyl 2-({[4-(2-oxopyrrolidinyl)phenyl]sulfonyl}amino)-2-phenylacetate
| Molecular Formula | C19H20N2O5S |
| Molecular Weight | 388.10928 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.10928 Da |
| Heavy Atoms | 27 |
| Complexity | 631.0 |
| SMILES | COC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O |
| InChIKey | XQBIXMVIQRQNFS-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate. Following Lipinski's Rule of Five, Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate is 1009523-40-3.
The molecular formula of Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate is C19H20N2O5S.
The molecular weight of Methyl ({[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}amino)(phenyl)acetate is 388.10928 g/mol.
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