TL;DR: N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide (CAS 1105206-95-8) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
Also Known As: VU0496977-1, F2761-0242, N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide, N-[3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide, N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
| Molecular Formula | C20H23N3O5S |
| Molecular Weight | 417.13583 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.13583 Da |
| Heavy Atoms | 29 |
| Complexity | 670.0 |
| SMILES | COC1=CC=C(C=C1)CCNC(=O)C(=O)NC2=CC(=CC=C2)N3CCCS3(=O)=O |
| InChIKey | XDLISLIEENDWHQ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide. Following Lipinski's Rule of Five, N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide has 2 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 N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide is 1105206-95-8.
The molecular formula of N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide is C20H23N3O5S.
The molecular weight of N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(4-methoxyphenethyl)oxalamide is 417.13583 g/mol.
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