TL;DR: N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide (CAS 1105246-18-1) is a chemical compound with molecular formula C17H25N3O6S and molecular weight 399.1464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,2-diethoxyethyl)-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
Also Known As: VU0496899-1, F2760-0246, N-(2,2-diethoxyethyl)-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide, N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide, N-(2,2-diethoxyethyl)-N'-[4-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]ethanediamide
| Molecular Formula | C17H25N3O6S |
| Molecular Weight | 399.1464 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1464 Da |
| Heavy Atoms | 27 |
| Complexity | 592.0 |
| SMILES | CCOC(CNC(=O)C(=O)NC1=CC=C(C=C1)N2CCCS2(=O)=O)OCC |
| InChIKey | AWNKJVKRUYVHLH-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide. Following Lipinski's Rule of Five, N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide is 1105246-18-1.
The molecular formula of N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide is C17H25N3O6S.
The molecular weight of N1-(2,2-diethoxyethyl)-N2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)oxalamide is 399.1464 g/mol.
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