[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C18H16FNO4S — CID 7676191

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H16FNO4S/c1-12(21)20-14-8-6-13(7-9-14)16(22)10-24-18(23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyUFUOEDPYUWCQHG-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.30
Rot. Bonds7

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7676191) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7676191
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H16FNO4S/c1-12(21)20-14-8-6-13(7-9-14)16(22)10-24-18(23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyUFUOEDPYUWCQHG-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7489309
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355052
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
N-[4-[2-(2-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9353797
[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992506
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676134
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355001
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7676191) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is UFUOEDPYUWCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-12(21)20-14-8-6-13(7-9-14)16(22)10-24-18(23)11-25-17-5-3-2-4-15(17)19/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 361.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7676191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).