2-ethoxy-N-(2-phenylsulfanylethyl)acetamide

C12H17NO2S — CID 60668624

IUPAC2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
SMILESCCOCC(=O)NCCSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-15-10-12(14)13-8-9-16-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyFVCIPXYXROYAPC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds7

About 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide

2-ethoxy-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 60668624) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
PubChem CID60668624
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
SMILESCCOCC(=O)NCCSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-15-10-12(14)13-8-9-16-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyFVCIPXYXROYAPC-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
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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Related Compounds

ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
3-(3,4-diethoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 38006736
[2-oxo-2-[2-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]ethylamino]ethyl] 3-phenylsulfanylpropanoate
CID 16531150
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
ethyl 4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperazine-1-carboxylate
CID 8544935
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
1-(3-ethoxypropyl)-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111223099

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide (CID 60668624) is 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide is CCOCC(=O)NCCSc1ccccc1.
What is the InChIKey of 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is FVCIPXYXROYAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-10-12(14)13-8-9-16-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide?
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 60668624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).