2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide

C15H11F4NO2S — CID 38033659

IUPAC2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F4NO2S/c16-10-4-6-13(7-5-10)23-9-14(21)20-11-2-1-3-12(8-11)22-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyXOWXEWVXYCPLSQ-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.46
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 38033659) has the molecular formula C15H11F4NO2S and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID38033659
Molecular FormulaC15H11F4NO2S
Molecular Weight345.32 g/mol
Exact Mass345.04
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H11F4NO2S/c16-10-4-6-13(7-5-10)23-9-14(21)20-11-2-1-3-12(8-11)22-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyXOWXEWVXYCPLSQ-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
tert-butyl N-[2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylethyl]carbamate
CID 84551861
potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 72703945
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38206399
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 38033659) is 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1ccc(F)cc1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XOWXEWVXYCPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2S/c16-10-4-6-13(7-5-10)23-9-14(21)20-11-2-1-3-12(8-11)22-15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 38033659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).