2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C20H26N2O6S — CID 43873475

IUPAC2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-15(18-6-4-5-7-19(18)27-3)22-20(23)14-28-16-8-10-17(11-9-16)29(24,25)21-12-13-26-2/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyZLZAALUIOFTHLQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.88
Rot. Bonds11

About 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 43873475) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID43873475
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-15(18-6-4-5-7-19(18)27-3)22-20(23)14-28-16-8-10-17(11-9-16)29(24,25)21-12-13-26-2/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyZLZAALUIOFTHLQ-UHFFFAOYSA-N
XLogP1.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552888
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553351
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649314
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 43873475) is 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccccc2OC)cc1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is ZLZAALUIOFTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-15(18-6-4-5-7-19(18)27-3)22-20(23)14-28-16-8-10-17(11-9-16)29(24,25)21-12-13-26-2/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43873475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).