TL;DR: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide (CAS 1030616-78-4) is a chemical compound with molecular formula C30H33N3O5S and molecular weight 547.2141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide, 2-(3-(3,4-dimethoxyphenethyl)-5-oxo-1-phenethyl-2-thioxoimidazolidin-4-yl)-N-(4-methoxyphenyl)acetamide, 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-OXO-1-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-METHOXYPHENYL)ACETAMIDE
| Molecular Formula | C30H33N3O5S |
| Molecular Weight | 547.2141 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 547.2141 Da |
| Heavy Atoms | 39 |
| Complexity | 814.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4 |
| InChIKey | FGFUGQPECWAVST-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)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]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)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]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide is 1030616-78-4.
The molecular formula of 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide is C30H33N3O5S.
The molecular weight of 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide is 547.2141 g/mol.
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