N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide

C24H23BrCl2N2O4S — CID 100800120

IUPACN-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H23BrCl2N2O4S/c1-3-15-11-17(25)12-16(4-2)24(15)28-23(30)14-33-22-10-9-20(13-21(22)27)34(31,32)29-19-7-5-18(26)6-8-19/h5-13,29H,3-4,14H2,1-2H3,(H,28,30)
InChIKeyIICBKVVOHQGFCN-UHFFFAOYSA-N
MW586.34 g/mol
LogP6.70
Rot. Bonds9

About N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide

N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 100800120) has the molecular formula C24H23BrCl2N2O4S and a molecular weight of 586.34 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
PubChem CID100800120
Molecular FormulaC24H23BrCl2N2O4S
Molecular Weight586.34 g/mol
Exact Mass583.99
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H23BrCl2N2O4S/c1-3-15-11-17(25)12-16(4-2)24(15)28-23(30)14-33-22-10-9-20(13-21(22)27)34(31,32)29-19-7-5-18(26)6-8-19/h5-13,29H,3-4,14H2,1-2H3,(H,28,30)
InChIKeyIICBKVVOHQGFCN-UHFFFAOYSA-N
XLogP6.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.34
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 4024458
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
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
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875173
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402279
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide (CID 100800120) is N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide is CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is IICBKVVOHQGFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrCl2N2O4S/c1-3-15-11-17(25)12-16(4-2)24(15)28-23(30)14-33-22-10-9-20(13-21(22)27)34(31,32)29-19-7-5-18(26)6-8-19/h5-13,29H,3-4,14H2,1-2H3,(H,28,30).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 586.34 g/mol, XLogP of 6.70, 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-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 100800120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).