2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide

C9H11NO3S — CID 164916025

IUPAC2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide
SMILESCSOc1ccc(C(O)C(N)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-14-13-7-4-2-6(3-5-7)8(11)9(10)12/h2-5,8,11H,1H3,(H2,10,12)
InChIKeyFOQNQROWJCFAOS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.86
Rot. Bonds4

About 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide

2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide (PubChem CID 164916025) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide
PubChem CID164916025
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide
SMILESCSOc1ccc(C(O)C(N)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-14-13-7-4-2-6(3-5-7)8(11)9(10)12/h2-5,8,11H,1H3,(H2,10,12)
InChIKeyFOQNQROWJCFAOS-UHFFFAOYSA-N
XLogP0.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide?
The IUPAC name of 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide (CID 164916025) is 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide?
The canonical SMILES for 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide is CSOc1ccc(C(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide?
The InChIKey is FOQNQROWJCFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-14-13-7-4-2-6(3-5-7)8(11)9(10)12/h2-5,8,11H,1H3,(H2,10,12).
What are the key properties of 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide?
2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide has a molecular weight of 213.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methylsulfanyloxyphenyl)acetamide is sourced from PubChem (CID 164916025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).