2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C20H18BrN3O4S — CID 19176553

IUPAC2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-14-12-16(7-10-18(14)21)28-13-20(25)23-15-5-8-17(9-6-15)29(26,27)24-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyGNBOOZZPOKWIFP-UHFFFAOYSA-N
MW476.35 g/mol
LogP3.97
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 19176553) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID19176553
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-14-12-16(7-10-18(14)21)28-13-20(25)23-15-5-8-17(9-6-15)29(26,27)24-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyGNBOOZZPOKWIFP-UHFFFAOYSA-N
XLogP3.97
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013498
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 99954661
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 35271119
2-(4-bromo-3-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3383244
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
CID 3418325
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 1039155

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 19176553) is 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GNBOOZZPOKWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-14-12-16(7-10-18(14)21)28-13-20(25)23-15-5-8-17(9-6-15)29(26,27)24-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 476.35 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 19176553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).