4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

C24H27N3O4S — CID 19191432

IUPAC4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C24H27N3O4S/c1-2-6-19-9-13-21(14-10-19)31-18-5-8-24(28)26-20-11-15-22(16-12-20)32(29,30)27-23-7-3-4-17-25-23/h3-4,7,9-17H,2,5-6,8,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyWZDOPSXUYBYRLF-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.63
Rot. Bonds11

About 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 19191432) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID19191432
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C24H27N3O4S/c1-2-6-19-9-13-21(14-10-19)31-18-5-8-24(28)26-20-11-15-22(16-12-20)32(29,30)27-23-7-3-4-17-25-23/h3-4,7,9-17H,2,5-6,8,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyWZDOPSXUYBYRLF-UHFFFAOYSA-N
XLogP4.63
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 99954661
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 19191432) is 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is WZDOPSXUYBYRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-2-6-19-9-13-21(14-10-19)31-18-5-8-24(28)26-20-11-15-22(16-12-20)32(29,30)27-23-7-3-4-17-25-23/h3-4,7,9-17H,2,5-6,8,18H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 453.56 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 19191432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).