2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C17H16F3NOS — CID 17494927

IUPAC2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NOS/c1-12-4-2-3-5-15(12)23-11-16(22)21-10-13-6-8-14(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyXCJDWAJZJGROEM-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 17494927) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID17494927
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NOS/c1-12-4-2-3-5-15(12)23-11-16(22)21-10-13-6-8-14(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyXCJDWAJZJGROEM-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 3610323
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39978344
2-(2-methylphenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46464831
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38763023
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 11474857

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 17494927) is 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccccc1SCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XCJDWAJZJGROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-12-4-2-3-5-15(12)23-11-16(22)21-10-13-6-8-14(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 339.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17494927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).