N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H15F4NOS — CID 17444667

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NOS/c1-11(12-5-7-14(18)8-6-12)22-16(23)10-24-15-4-2-3-13(9-15)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyUYABFVOTQMWJCR-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 17444667) has the molecular formula C17H15F4NOS and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID17444667
Molecular FormulaC17H15F4NOS
Molecular Weight357.37 g/mol
Exact Mass357.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NOS/c1-11(12-5-7-14(18)8-6-12)22-16(23)10-24-15-4-2-3-13(9-15)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyUYABFVOTQMWJCR-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
2-(4-methoxyphenyl)sulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 17475687
N-[(1S)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484677
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 17444667) is N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is UYABFVOTQMWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NOS/c1-11(12-5-7-14(18)8-6-12)22-16(23)10-24-15-4-2-3-13(9-15)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 357.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 17444667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).