2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide

C13H19NO4S — CID 79675642

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
SMILESCCOc1ccc(SCC(=O)NOCCOC)cc1
InChIInChI=1S/C13H19NO4S/c1-3-17-11-4-6-12(7-5-11)19-10-13(15)14-18-9-8-16-2/h4-7H,3,8-10H2,1-2H3,(H,14,15)
InChIKeyAEQPYGBISZQNJI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.87
Rot. Bonds9

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide (PubChem CID 79675642) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
PubChem CID79675642
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
SMILESCCOc1ccc(SCC(=O)NOCCOC)cc1
InChIInChI=1S/C13H19NO4S/c1-3-17-11-4-6-12(7-5-11)19-10-13(15)14-18-9-8-16-2/h4-7H,3,8-10H2,1-2H3,(H,14,15)
InChIKeyAEQPYGBISZQNJI-UHFFFAOYSA-N
XLogP1.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
CID 79676386
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
CID 83202111
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119522886
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933406
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32603483
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
methyl (2R)-2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoate
CID 9428591
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide (CID 79675642) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide is CCOc1ccc(SCC(=O)NOCCOC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The InChIKey is AEQPYGBISZQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-17-11-4-6-12(7-5-11)19-10-13(15)14-18-9-8-16-2/h4-7H,3,8-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79675642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).