2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide

C26H30N2O6S — CID 126206035

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-18-13-19(2)15-21(14-18)28-26(29)17-34-22-6-8-23(9-7-22)35(30,31)27-12-11-20-5-10-24(32-3)25(16-20)33-4/h5-10,13-16,27H,11-12,17H2,1-4H3,(H,28,29)
InChIKeyKDIBRXQLKDUDRB-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.86
Rot. Bonds11

About 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 126206035) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
PubChem CID126206035
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-18-13-19(2)15-21(14-18)28-26(29)17-34-22-6-8-23(9-7-22)35(30,31)27-12-11-20-5-10-24(32-3)25(16-20)33-4/h5-10,13-16,27H,11-12,17H2,1-4H3,(H,28,29)
InChIKeyKDIBRXQLKDUDRB-UHFFFAOYSA-N
XLogP3.86
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126240142
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126204978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126212164
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126247258
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
N-(2,5-dimethoxyphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3941863
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide (CID 126206035) is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide is COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is KDIBRXQLKDUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-18-13-19(2)15-21(14-18)28-26(29)17-34-22-6-8-23(9-7-22)35(30,31)27-12-11-20-5-10-24(32-3)25(16-20)33-4/h5-10,13-16,27H,11-12,17H2,1-4H3,(H,28,29).
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide?
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 498.60 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126206035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).