2-(4-acetamidophenyl)sulfanylacetic acid

C10H11NO3S — CID 3761687

IUPAC2-(4-acetamidophenyl)sulfanylacetic acid
SMILESCC(=O)Nc1ccc(SCC(=O)O)cc1
InChIInChI=1S/C10H11NO3S/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)
InChIKeyCLURNAHOBWGZHV-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-acetamidophenyl)sulfanylacetic acid

2-(4-acetamidophenyl)sulfanylacetic acid (PubChem CID 3761687) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanylacetic acid
PubChem CID3761687
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-(4-acetamidophenyl)sulfanylacetic acid
SMILESCC(=O)Nc1ccc(SCC(=O)O)cc1
InChIInChI=1S/C10H11NO3S/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)
InChIKeyCLURNAHOBWGZHV-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanylacetic acid?
The IUPAC name of 2-(4-acetamidophenyl)sulfanylacetic acid (CID 3761687) is 2-(4-acetamidophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanylacetic acid?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanylacetic acid is CC(=O)Nc1ccc(SCC(=O)O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanylacetic acid?
The InChIKey is CLURNAHOBWGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/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).
What are the key properties of 2-(4-acetamidophenyl)sulfanylacetic acid?
2-(4-acetamidophenyl)sulfanylacetic acid has a molecular weight of 225.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanylacetic acid is sourced from PubChem (CID 3761687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).