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

C24H24F2N2O6S — CID 126204503

IUPACN-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1OC
InChIInChI=1S/C24H24F2N2O6S/c1-32-22-10-3-16(13-23(22)33-2)11-12-27-35(30,31)19-7-5-18(6-8-19)34-15-24(29)28-21-9-4-17(25)14-20(21)26/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,28,29)
InChIKeyBLHUHOLDLHKSHU-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.52
Rot. Bonds11

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

N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide (PubChem CID 126204503) has the molecular formula C24H24F2N2O6S and a molecular weight of 506.53 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
PubChem CID126204503
Molecular FormulaC24H24F2N2O6S
Molecular Weight506.53 g/mol
Exact Mass506.13
IUPAC NameN-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1OC
InChIInChI=1S/C24H24F2N2O6S/c1-32-22-10-3-16(13-23(22)33-2)11-12-27-35(30,31)19-7-5-18(6-8-19)34-15-24(29)28-21-9-4-17(25)14-20(21)26/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,28,29)
InChIKeyBLHUHOLDLHKSHU-UHFFFAOYSA-N
XLogP3.52
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126206035
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
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
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126212164
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
CID 28554069
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide (CID 126204503) is N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide is COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide?
The InChIKey is BLHUHOLDLHKSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O6S/c1-32-22-10-3-16(13-23(22)33-2)11-12-27-35(30,31)19-7-5-18(6-8-19)34-15-24(29)28-21-9-4-17(25)14-20(21)26/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,28,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide?
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide has a molecular weight of 506.53 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126204503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).