N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C22H20F2N2O4S — CID 28553530

IUPACN-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-14-9-15(2)11-17(10-14)26-31(28,29)19-6-4-18(5-7-19)30-13-22(27)25-16-3-8-20(23)21(24)12-16/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyLHKIIXHVVURMRX-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.40
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 28553530) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID28553530
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-14-9-15(2)11-17(10-14)26-31(28,29)19-6-4-18(5-7-19)30-13-22(27)25-16-3-8-20(23)21(24)12-16/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyLHKIIXHVVURMRX-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
N-(2,5-dimethoxyphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3941863

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 28553530) is N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is LHKIIXHVVURMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-14-9-15(2)11-17(10-14)26-31(28,29)19-6-4-18(5-7-19)30-13-22(27)25-16-3-8-20(23)21(24)12-16/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 446.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28553530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).