N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C14H10ClF4N3OS — CID 1342108

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H10ClF4N3OS/c1-7-4-11(14(17,18)19)22-13(20-7)24-6-12(23)21-10-3-2-8(15)5-9(10)16/h2-5H,6H2,1H3,(H,21,23)
InChIKeyHYEIKCOUEGKGTH-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.33
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 1342108) has the molecular formula C14H10ClF4N3OS and a molecular weight of 379.77 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID1342108
Molecular FormulaC14H10ClF4N3OS
Molecular Weight379.77 g/mol
Exact Mass379.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H10ClF4N3OS/c1-7-4-11(14(17,18)19)22-13(20-7)24-6-12(23)21-10-3-2-8(15)5-9(10)16/h2-5H,6H2,1H3,(H,21,23)
InChIKeyHYEIKCOUEGKGTH-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 2904993
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
CID 1893916
N-(2,4-Dichloro-phenyl)-2-(6-methyl-2-methylsulfanyl-pyrimidin-4-ylsulfanyl)-acetamide
CID 1095831
N-tert-butyl-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1146213
2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-phenylacetamide
CID 2225054
N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 3155182
3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 851323
N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide
CID 592739
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-fluorophenyl)acetamide
CID 742076
N-(4-chloro-2-fluorophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 743539

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 1342108) is N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is HYEIKCOUEGKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N3OS/c1-7-4-11(14(17,18)19)22-13(20-7)24-6-12(23)21-10-3-2-8(15)5-9(10)16/h2-5H,6H2,1H3,(H,21,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 379.77 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).