N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide

C22H29BrN2O4S — CID 100796629

IUPACN-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(CC)cc(Br)cc2CC)c(C)c1
InChIInChI=1S/C22H29BrN2O4S/c1-5-10-24-30(27,28)19-8-9-20(15(4)11-19)29-14-21(26)25-22-16(6-2)12-18(23)13-17(22)7-3/h8-9,11-13,24H,5-7,10,14H2,1-4H3,(H,25,26)
InChIKeyVPYDGAJKHYCCFM-UHFFFAOYSA-N
MW497.46 g/mol
LogP4.59
Rot. Bonds10

About N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide

N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 100796629) has the molecular formula C22H29BrN2O4S and a molecular weight of 497.46 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID100796629
Molecular FormulaC22H29BrN2O4S
Molecular Weight497.46 g/mol
Exact Mass496.10
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(CC)cc(Br)cc2CC)c(C)c1
InChIInChI=1S/C22H29BrN2O4S/c1-5-10-24-30(27,28)19-8-9-20(15(4)11-19)29-14-21(26)25-22-16(6-2)12-18(23)13-17(22)7-3/h8-9,11-13,24H,5-7,10,14H2,1-4H3,(H,25,26)
InChIKeyVPYDGAJKHYCCFM-UHFFFAOYSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796625
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796799
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796609
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 100800177
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
CID 100800120
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
N-(4-bromo-2,6-diethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 100797034
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
2-(2,5-dimethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932601
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide (CID 100796629) is N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(CC)cc(Br)cc2CC)c(C)c1.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is VPYDGAJKHYCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O4S/c1-5-10-24-30(27,28)19-8-9-20(15(4)11-19)29-14-21(26)25-22-16(6-2)12-18(23)13-17(22)7-3/h8-9,11-13,24H,5-7,10,14H2,1-4H3,(H,25,26).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 497.46 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 100796629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).