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

C15H14F3N3O2S — CID 2236145

IUPACN-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H14F3N3O2S/c1-9-7-12(15(16,17)18)21-14(19-9)24-8-13(22)20-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyVJNRCODAPXCHIH-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.54
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2236145) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2236145
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC NameN-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H14F3N3O2S/c1-9-7-12(15(16,17)18)21-14(19-9)24-8-13(22)20-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyVJNRCODAPXCHIH-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1867183
4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608
4-(4-Methoxyphenylamino)-6-methylpyrimidin-2-amine
CID 241827
2-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-acetamide
CID 653466
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 815338
2-((4,6-Diaminopyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 846576
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1090230
1-(4-Butoxyphenyl)-3-[2-(butylsulfanyl)-6-methylpyrimidin-4-yl]thiourea
CID 1870872
2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 2236145) is N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is VJNRCODAPXCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c1-9-7-12(15(16,17)18)21-14(19-9)24-8-13(22)20-10-3-5-11(23-2)6-4-10/h3-7H,8H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 357.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2236145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).