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

C23H25N3O4S — CID 19176564

IUPAC4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-18-8-12-20(13-9-18)30-17-5-7-23(27)25-19-10-14-21(15-11-19)31(28,29)26-22-6-3-4-16-24-22/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,24,26)(H,25,27)
InChIKeyWFUIWYNLVNTUMI-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.24
Rot. Bonds10

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

4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 19176564) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID19176564
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-18-8-12-20(13-9-18)30-17-5-7-23(27)25-19-10-14-21(15-11-19)31(28,29)26-22-6-3-4-16-24-22/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,24,26)(H,25,27)
InChIKeyWFUIWYNLVNTUMI-UHFFFAOYSA-N
XLogP4.24
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.24
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-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19191432
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
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
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 19176564) is 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is WFUIWYNLVNTUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-18-8-12-20(13-9-18)30-17-5-7-23(27)25-19-10-14-21(15-11-19)31(28,29)26-22-6-3-4-16-24-22/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 439.54 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 19176564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).