2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate

C20H25NO6S — CID 39415083

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H25NO6S/c1-4-16-5-7-18(8-6-16)27-15-20(22)26-14-13-25-17-9-11-19(12-10-17)28(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3
InChIKeyCPYNFXPNOSMGTD-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.50
Rot. Bonds10

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate (PubChem CID 39415083) has the molecular formula C20H25NO6S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
PubChem CID39415083
Molecular FormulaC20H25NO6S
Molecular Weight407.49 g/mol
Exact Mass407.14
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H25NO6S/c1-4-16-5-7-18(8-6-16)27-15-20(22)26-14-13-25-17-9-11-19(12-10-17)28(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3
InChIKeyCPYNFXPNOSMGTD-UHFFFAOYSA-N
XLogP2.50
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-amino-4-fluorobenzoate
CID 25486421
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
2-(4-ethoxyphenoxy)ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648928
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate (CID 39415083) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate?
The InChIKey is CPYNFXPNOSMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6S/c1-4-16-5-7-18(8-6-16)27-15-20(22)26-14-13-25-17-9-11-19(12-10-17)28(23,24)21(2)3/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate has a molecular weight of 407.49 g/mol, XLogP of 2.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 39415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).