2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C23H23BrN2O4S — CID 4923224

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16-13-18(24)14-17(2)23(16)30-15-22(27)25-19-9-11-21(12-10-19)31(28,29)26(3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyOYXDJAOZIKKXQR-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.91
Rot. Bonds7

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4923224) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4923224
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16-13-18(24)14-17(2)23(16)30-15-22(27)25-19-9-11-21(12-10-19)31(28,29)26(3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyOYXDJAOZIKKXQR-UHFFFAOYSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3335187
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
CID 3418325
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4923224) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide is Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OYXDJAOZIKKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-16-13-18(24)14-17(2)23(16)30-15-22(27)25-19-9-11-21(12-10-19)31(28,29)26(3)20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 503.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4923224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).