TL;DR: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- (CAS 128433-37-4) is a chemical compound with molecular formula C20H15Cl2N3O2S and molecular weight 431.0262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-, N-Methyl-2'-orthochlorobenzoyl-4'-chloro-2-(2-pyrimidinyl)thioacetanilide, N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)acetamide, Acetamide,N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-pyrimidinylthio)-, N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
| Molecular Formula | C20H15Cl2N3O2S |
| Molecular Weight | 431.0262 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.0262 Da |
| Heavy Atoms | 28 |
| Complexity | 548.0 |
| SMILES | CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CSC3=NC=CC=N3 |
| InChIKey | QDRNJVCRNGFJPX-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-. Following Lipinski's Rule of Five, Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- is 128433-37-4.
The molecular formula of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- is C20H15Cl2N3O2S.
The molecular weight of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)- is 431.0262 g/mol.
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