2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate

C18H21NO7S — CID 34429524

IUPAC2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO7S/c1-23-14-2-4-15(5-3-14)24-11-10-18(20)26-13-12-25-16-6-8-17(9-7-16)27(19,21)22/h2-9H,10-13H2,1H3,(H2,19,21,22)
InChIKeyADTHKYCMIUIUQZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.73
Rot. Bonds10

About 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate

2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate (PubChem CID 34429524) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
PubChem CID34429524
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO7S/c1-23-14-2-4-15(5-3-14)24-11-10-18(20)26-13-12-25-16-6-8-17(9-7-16)27(19,21)22/h2-9H,10-13H2,1H3,(H2,19,21,22)
InChIKeyADTHKYCMIUIUQZ-UHFFFAOYSA-N
XLogP1.73
TPSA114.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578378
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
2-(4-sulfamoylphenoxy)ethyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 34389309
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
2-(4-sulfamoylphenoxy)ethyl 2-methoxy-4-methylsulfanylbenzoate
CID 9200762
2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373179

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate (CID 34429524) is 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate is COc1ccc(OCCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate?
The InChIKey is ADTHKYCMIUIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-23-14-2-4-15(5-3-14)24-11-10-18(20)26-13-12-25-16-6-8-17(9-7-16)27(19,21)22/h2-9H,10-13H2,1H3,(H2,19,21,22).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate?
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate has a molecular weight of 395.43 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 34429524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).