N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide

C17H16FNO2S — CID 17432923

IUPACN-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2S/c1-12(20)19-10-13-2-4-14(5-3-13)17(21)11-22-16-8-6-15(18)7-9-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyIDJAIEUMQZGYPT-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.44
Rot. Bonds6

About N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide

N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide (PubChem CID 17432923) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
PubChem CID17432923
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC NameN-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2S/c1-12(20)19-10-13-2-4-14(5-3-13)17(21)11-22-16-8-6-15(18)7-9-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyIDJAIEUMQZGYPT-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
N-[4-[2-(4-fluorophenyl)sulfanylacetyl]-2-methylsulfanylphenyl]acetamide
CID 60514090
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 116505636
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-[[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methyl]acetamide
CID 17395719
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide (CID 17432923) is N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide?
The InChIKey is IDJAIEUMQZGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-12(20)19-10-13-2-4-14(5-3-13)17(21)11-22-16-8-6-15(18)7-9-16/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide?
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide is sourced from PubChem (CID 17432923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).