N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C16H14FNO2S — CID 2194131

IUPACN-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-11(19)12-2-6-14(7-3-12)18-16(20)10-21-15-8-4-13(17)5-9-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyWRCFBYSERQXWOK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.76
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2194131) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2194131
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC NameN-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-11(19)12-2-6-14(7-3-12)18-16(20)10-21-15-8-4-13(17)5-9-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyWRCFBYSERQXWOK-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
methyl 2-[[4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoyl]amino]acetate
CID 46421581
N-[(Z)-3-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylanilino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22187766
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22777041
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2194131) is N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is WRCFBYSERQXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-11(19)12-2-6-14(7-3-12)18-16(20)10-21-15-8-4-13(17)5-9-15/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 303.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2194131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).