TL;DR: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide (CAS 1030340-57-8) is a chemical compound with molecular formula C28H28IN3O5S and molecular weight 645.07947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide
Also Known As: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide, 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(2-iodophenyl)acetamide, 2-(3-(3,4-dimethoxyphenethyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(2-iodophenyl)acetamide, 2-[3-(3,4-DIMETHOXYPHENETHYL)-1-(4-METHOXYPHENYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]-N-(2-IODOPHENYL)ACETAMIDE, 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl}-N-(2-iodophenyl)acetamide
| Molecular Formula | C28H28IN3O5S |
| Molecular Weight | 645.07947 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 645.07947 Da |
| Heavy Atoms | 38 |
| Complexity | 826.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC(=C(C=C3)OC)OC)CC(=O)NC4=CC=CC=C4I |
| InChIKey | KYLGAJLITTWTRY-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide. Following Lipinski's Rule of Five, 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide is 1030340-57-8.
The molecular formula of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide is C28H28IN3O5S.
The molecular weight of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(2-iodophenyl)acetamide is 645.07947 g/mol.
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