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

C14H11F4N3OS — CID 17052733

IUPACN-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H11F4N3OS/c1-8-6-11(14(16,17)18)21-13(19-8)23-7-12(22)20-10-5-3-2-4-9(10)15/h2-6H,7H2,1H3,(H,20,22)
InChIKeyGNXAWYRWLUDDSV-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.67
Rot. Bonds4

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

N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 17052733) has the molecular formula C14H11F4N3OS and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID17052733
Molecular FormulaC14H11F4N3OS
Molecular Weight345.32 g/mol
Exact Mass345.06
IUPAC NameN-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H11F4N3OS/c1-8-6-11(14(16,17)18)21-13(19-8)23-7-12(22)20-10-5-3-2-4-9(10)15/h2-6H,7H2,1H3,(H,20,22)
InChIKeyGNXAWYRWLUDDSV-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
N-(4-iodophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 21383049
N-(5-chloro-2-cyanophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 21383051
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
CID 5061796
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 7907006
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 4775785
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
N-(3,5-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1140912
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 51190620
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 17052733) is N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is GNXAWYRWLUDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3OS/c1-8-6-11(14(16,17)18)21-13(19-8)23-7-12(22)20-10-5-3-2-4-9(10)15/h2-6H,7H2,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 345.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 17052733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).