2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C24H27N3O5S — CID 35271119

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H27N3O5S/c1-24(2,3)20-15-18(31-4)10-13-21(20)32-16-23(28)26-17-8-11-19(12-9-17)33(29,30)27-22-7-5-6-14-25-22/h5-15H,16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySIRURLZKACIMQY-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.21
Rot. Bonds8

About 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 35271119) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID35271119
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H27N3O5S/c1-24(2,3)20-15-18(31-4)10-13-21(20)32-16-23(28)26-17-8-11-19(12-9-17)33(29,30)27-22-7-5-6-14-25-22/h5-15H,16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySIRURLZKACIMQY-UHFFFAOYSA-N
XLogP4.21
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-(2,4-ditert-butylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54783172
2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19176553
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 99954661
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-(2-tert-butylphenoxy)-N-[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]acetamide
CID 5225702
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 5044633
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 35271119) is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SIRURLZKACIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-18(31-4)10-13-21(20)32-16-23(28)26-17-8-11-19(12-9-17)33(29,30)27-22-7-5-6-14-25-22/h5-15H,16H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 469.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 35271119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).