2-(2-methoxyethylsulfanyl)-2-phenylacetamide

C11H15NO2S — CID 75374716

IUPAC2-(2-methoxyethylsulfanyl)-2-phenylacetamide
SMILESCOCCSC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-14-7-8-15-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13)
InChIKeyUBYAOZPKQZGBPL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-2-phenylacetamide

2-(2-methoxyethylsulfanyl)-2-phenylacetamide (PubChem CID 75374716) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-2-phenylacetamide
PubChem CID75374716
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(2-methoxyethylsulfanyl)-2-phenylacetamide
SMILESCOCCSC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-14-7-8-15-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13)
InChIKeyUBYAOZPKQZGBPL-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-2-phenylacetamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-2-phenylacetamide (CID 75374716) is 2-(2-methoxyethylsulfanyl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-2-phenylacetamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-2-phenylacetamide is COCCSC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-2-phenylacetamide?
The InChIKey is UBYAOZPKQZGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-7-8-15-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,12,13).
What are the key properties of 2-(2-methoxyethylsulfanyl)-2-phenylacetamide?
2-(2-methoxyethylsulfanyl)-2-phenylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-2-phenylacetamide is sourced from PubChem (CID 75374716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).