N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide

C20H24BrClN2O4S — CID 100800177

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C20H24BrClN2O4S/c1-4-5-8-23-29(26,27)16-6-7-18(17(22)11-16)28-12-19(25)24-20-13(2)9-15(21)10-14(20)3/h6-7,9-11,23H,4-5,8,12H2,1-3H3,(H,24,25)
InChIKeyDJGQODWVRWUECB-UHFFFAOYSA-N
MW503.85 g/mol
LogP4.82
Rot. Bonds9

About N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide (PubChem CID 100800177) has the molecular formula C20H24BrClN2O4S and a molecular weight of 503.85 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
PubChem CID100800177
Molecular FormulaC20H24BrClN2O4S
Molecular Weight503.85 g/mol
Exact Mass502.03
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C20H24BrClN2O4S/c1-4-5-8-23-29(26,27)16-6-7-18(17(22)11-16)28-12-19(25)24-20-13(2)9-15(21)10-14(20)3/h6-7,9-11,23H,4-5,8,12H2,1-3H3,(H,24,25)
InChIKeyDJGQODWVRWUECB-UHFFFAOYSA-N
XLogP4.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.85
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796625
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402290
N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796629
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 28556470
N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
CID 100800120
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28556446
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556462
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556467

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide (CID 100800177) is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide is CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(Cl)c1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide?
The InChIKey is DJGQODWVRWUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClN2O4S/c1-4-5-8-23-29(26,27)16-6-7-18(17(22)11-16)28-12-19(25)24-20-13(2)9-15(21)10-14(20)3/h6-7,9-11,23H,4-5,8,12H2,1-3H3,(H,24,25).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide has a molecular weight of 503.85 g/mol, XLogP of 4.82, 9 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-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide is sourced from PubChem (CID 100800177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).