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

C16H16F3N3OS — CID 39978344

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H16F3N3OS/c1-10-7-11(2)22-15(21-10)24-9-14(23)20-8-12-3-5-13(6-4-12)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyYFGPSJGJNCPKQZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.52
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 39978344) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID39978344
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H16F3N3OS/c1-10-7-11(2)22-15(21-10)24-9-14(23)20-8-12-3-5-13(6-4-12)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyYFGPSJGJNCPKQZ-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 39978344) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cc(C)nc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is YFGPSJGJNCPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c1-10-7-11(2)22-15(21-10)24-9-14(23)20-8-12-3-5-13(6-4-12)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.52, 5 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-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 39978344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).