3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide

C20H26N2O6S — CID 24979967

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-3-27-16-8-10-17(11-9-16)29(24,25)22-13-12-20(23)21-14-15-28-19-7-5-4-6-18(19)26-2/h4-11,22H,3,12-15H2,1-2H3,(H,21,23)
InChIKeyUQXOAUYNJLOQTJ-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.96
Rot. Bonds12

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide (PubChem CID 24979967) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
PubChem CID24979967
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-3-27-16-8-10-17(11-9-16)29(24,25)22-13-12-20(23)21-14-15-28-19-7-5-4-6-18(19)26-2/h4-11,22H,3,12-15H2,1-2H3,(H,21,23)
InChIKeyUQXOAUYNJLOQTJ-UHFFFAOYSA-N
XLogP1.96
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.96
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-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
1-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 4878006
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
2-[(3,4-Dimethoxy-benzenesulfonyl)-methyl-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 2946677
2-[(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-methyl-amino]-N-(2-methoxy-ethyl)-acetamide
CID 649997
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
2-(2-ethoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683032
4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propylbenzenesulfonamide
CID 3156718
4-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 3156765

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide (CID 24979967) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2OC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The InChIKey is UQXOAUYNJLOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-3-27-16-8-10-17(11-9-16)29(24,25)22-13-12-20(23)21-14-15-28-19-7-5-4-6-18(19)26-2/h4-11,22H,3,12-15H2,1-2H3,(H,21,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 1.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 24979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).