2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

C25H25F3N2O6S — CID 126204978

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1OC
InChIInChI=1S/C25H25F3N2O6S/c1-34-22-12-3-17(15-23(22)35-2)13-14-29-37(32,33)21-10-8-20(9-11-21)36-16-24(31)30-19-6-4-18(5-7-19)25(26,27)28/h3-12,15,29H,13-14,16H2,1-2H3,(H,30,31)
InChIKeyDXPRHRIJIFODLS-UHFFFAOYSA-N
MW538.54 g/mol
LogP4.26
Rot. Bonds11

About 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 126204978) has the molecular formula C25H25F3N2O6S and a molecular weight of 538.54 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID126204978
Molecular FormulaC25H25F3N2O6S
Molecular Weight538.54 g/mol
Exact Mass538.14
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1OC
InChIInChI=1S/C25H25F3N2O6S/c1-34-22-12-3-17(15-23(22)35-2)13-14-29-37(32,33)21-10-8-20(9-11-21)36-16-24(31)30-19-6-4-18(5-7-19)25(26,27)28/h3-12,15,29H,13-14,16H2,1-2H3,(H,30,31)
InChIKeyDXPRHRIJIFODLS-UHFFFAOYSA-N
XLogP4.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126206035
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-(2,4,6-trimethylphenyl)acetamide
CID 126240142
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
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
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17093270
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873449
2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 126204978) is 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1OC.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DXPRHRIJIFODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O6S/c1-34-22-12-3-17(15-23(22)35-2)13-14-29-37(32,33)21-10-8-20(9-11-21)36-16-24(31)30-19-6-4-18(5-7-19)25(26,27)28/h3-12,15,29H,13-14,16H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 538.54 g/mol, XLogP of 4.26, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126204978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).