2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide

C18H19NO4S — CID 8869062

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(OCC(=O)NCCSc2ccccc2)c(C=O)c1
InChIInChI=1S/C18H19NO4S/c1-22-15-7-8-17(14(11-15)12-20)23-13-18(21)19-9-10-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,19,21)
InChIKeyBUPQGXHKQDNZBA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.80
Rot. Bonds9

About 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide

2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 8869062) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID8869062
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
SMILESCOc1ccc(OCC(=O)NCCSc2ccccc2)c(C=O)c1
InChIInChI=1S/C18H19NO4S/c1-22-15-7-8-17(14(11-15)12-20)23-13-18(21)19-9-10-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,19,21)
InChIKeyBUPQGXHKQDNZBA-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 9063293
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide (CID 8869062) is 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide is COc1ccc(OCC(=O)NCCSc2ccccc2)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is BUPQGXHKQDNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-22-15-7-8-17(14(11-15)12-20)23-13-18(21)19-9-10-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,19,21).
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide?
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 8869062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).