2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

C22H17ClFNO2S — CID 22776204

IUPAC2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17ClFNO2S/c23-17-5-1-15(2-6-17)13-22(27)25-19-9-11-20(12-10-19)28-14-21(26)16-3-7-18(24)8-4-16/h1-12H,13-14H2,(H,25,27)
InChIKeyRNBNMKWDCTVIJH-UHFFFAOYSA-N
MW413.90 g/mol
LogP5.64
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide

2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 22776204) has the molecular formula C22H17ClFNO2S and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID22776204
Molecular FormulaC22H17ClFNO2S
Molecular Weight413.90 g/mol
Exact Mass413.07
IUPAC Name2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17ClFNO2S/c23-17-5-1-15(2-6-17)13-22(27)25-19-9-11-20(12-10-19)28-14-21(26)16-3-7-18(24)8-4-16/h1-12H,13-14H2,(H,25,27)
InChIKeyRNBNMKWDCTVIJH-UHFFFAOYSA-N
XLogP5.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22779193
N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
CID 7434036
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
(E)-4-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784725
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 22776204) is 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is RNBNMKWDCTVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO2S/c23-17-5-1-15(2-6-17)13-22(27)25-19-9-11-20(12-10-19)28-14-21(26)16-3-7-18(24)8-4-16/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 413.90 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 22776204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).