TL;DR: Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester (CAS 141283-62-7) is a chemical compound with molecular formula C11H13F3N4O4S2 and molecular weight 386.03302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]carbamate
Also Known As: Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester, Ethyl {[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl}carbamate, ethyl N-[[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate, Ethyl N-[[2-methanesulfonamido-5-(trifluoromethyl)pyridin-3-yl]thiocarbamoyl]carbamate
| Molecular Formula | C11H13F3N4O4S2 |
| Molecular Weight | 386.03302 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.03302 Da |
| Heavy Atoms | 24 |
| Complexity | 565.0 |
| SMILES | CCOC(=O)NC(=S)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C |
| InChIKey | CCSOKBMSDHZTEB-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester. The TPSA of 150.0 Ų indicates high polarity, suggesting Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester is 141283-62-7.
The molecular formula of Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester is C11H13F3N4O4S2.
The molecular weight of Carbamic acid, (((2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)amino)thioxomethyl)-, ethyl ester is 386.03302 g/mol.
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