2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C17H18F3N3OS — CID 30315085

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H18F3N3OS/c1-11-9-12(2)23-16(22-11)25-10-15(24)21-8-7-13-3-5-14(6-4-13)17(18,19)20/h3-6,9H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyJOZNYAPSTKHZNV-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.56
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 30315085) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID30315085
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H18F3N3OS/c1-11-9-12(2)23-16(22-11)25-10-15(24)21-8-7-13-3-5-14(6-4-13)17(18,19)20/h3-6,9H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyJOZNYAPSTKHZNV-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39978344
2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 99152330
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 16546762
2-(4-nitrophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594277
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708663
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38572750
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3472528

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 30315085) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is Cc1cc(C)nc(SCC(=O)NCCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is JOZNYAPSTKHZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-11-9-12(2)23-16(22-11)25-10-15(24)21-8-7-13-3-5-14(6-4-13)17(18,19)20/h3-6,9H,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 30315085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).