2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide

C16H14F3NO2S — CID 35202352

IUPAC2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccccc1SCC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3NO2S/c1-11-6-2-5-9-14(11)23-10-15(21)20-12-7-3-4-8-13(12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKWHFBHDBRWVSBN-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.62
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 35202352) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID35202352
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccccc1SCC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3NO2S/c1-11-6-2-5-9-14(11)23-10-15(21)20-12-7-3-4-8-13(12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKWHFBHDBRWVSBN-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
2-[(4Z)-4-[(2-methylphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 124921354
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 55899537
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 35202352) is 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide is Cc1ccccc1SCC(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is KWHFBHDBRWVSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-11-6-2-5-9-14(11)23-10-15(21)20-12-7-3-4-8-13(12)22-16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 35202352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).