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

C20H25BrN2O4S — CID 100796625

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(C)c1
InChIInChI=1S/C20H25BrN2O4S/c1-5-8-22-28(25,26)17-6-7-18(13(2)11-17)27-12-19(24)23-20-14(3)9-16(21)10-15(20)4/h6-7,9-11,22H,5,8,12H2,1-4H3,(H,23,24)
InChIKeyJATMKKXXGVOUPO-UHFFFAOYSA-N
MW469.40 g/mol
LogP4.08
Rot. Bonds8

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

N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 100796625) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID100796625
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(C)c1
InChIInChI=1S/C20H25BrN2O4S/c1-5-8-22-28(25,26)17-6-7-18(13(2)11-17)27-12-19(24)23-20-14(3)9-16(21)10-15(20)4/h6-7,9-11,22H,5,8,12H2,1-4H3,(H,23,24)
InChIKeyJATMKKXXGVOUPO-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796629
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 100800177
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
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
2-(2,5-dimethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932601
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide (CID 100796625) is N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(C)c1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is JATMKKXXGVOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-5-8-22-28(25,26)17-6-7-18(13(2)11-17)27-12-19(24)23-20-14(3)9-16(21)10-15(20)4/h6-7,9-11,22H,5,8,12H2,1-4H3,(H,23,24).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 469.40 g/mol, XLogP of 4.08, 8 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-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 100796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).