potassium 2-(4-acetamidophenyl)sulfanylacetate

C10H10KNO3S — CID 23700024

IUPACpotassium 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)[O-])cc1.[K+]
InChIInChI=1S/C10H11NO3S.K/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14;/h2-5H,6H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyRGGQDGRKURHWRL-UHFFFAOYSA-M
MW263.36 g/mol
LogP-2.51
Rot. Bonds4

About potassium 2-(4-acetamidophenyl)sulfanylacetate

potassium 2-(4-acetamidophenyl)sulfanylacetate (PubChem CID 23700024) has the molecular formula C10H10KNO3S and a molecular weight of 263.36 g/mol. Its IUPAC name is potassium 2-(4-acetamidophenyl)sulfanylacetate.

Molecular Properties

Compound Namepotassium 2-(4-acetamidophenyl)sulfanylacetate
PubChem CID23700024
Molecular FormulaC10H10KNO3S
Molecular Weight263.36 g/mol
Exact Mass263.00
IUPAC Namepotassium 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)[O-])cc1.[K+]
InChIInChI=1S/C10H11NO3S.K/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14;/h2-5H,6H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyRGGQDGRKURHWRL-UHFFFAOYSA-M
XLogP-2.51
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
potassium;sodium;2-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanylacetate;2-[4-(2,2-dimethylpropanoylamino)phenyl]sulfonylacetate
CID 159121436
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
potassium 2-phenylsulfanylacetate
CID 23690750
N-[4-(4-amino-3-cyano-2-oxopent-3-enyl)sulfanylphenyl]acetamide
CID 3505950
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176

Frequently Asked Questions

What is the IUPAC name of potassium 2-(4-acetamidophenyl)sulfanylacetate?
The IUPAC name of potassium 2-(4-acetamidophenyl)sulfanylacetate (CID 23700024) is potassium 2-(4-acetamidophenyl)sulfanylacetate.
What is the SMILES notation for potassium 2-(4-acetamidophenyl)sulfanylacetate?
The canonical SMILES for potassium 2-(4-acetamidophenyl)sulfanylacetate is CC(=O)Nc1ccc(SCC(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 2-(4-acetamidophenyl)sulfanylacetate?
The InChIKey is RGGQDGRKURHWRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO3S.K/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14;/h2-5H,6H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-(4-acetamidophenyl)sulfanylacetate?
potassium 2-(4-acetamidophenyl)sulfanylacetate has a molecular weight of 263.36 g/mol, XLogP of -2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(4-acetamidophenyl)sulfanylacetate is sourced from PubChem (CID 23700024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).