4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide

C21H26N2O5S — CID 55396046

IUPAC4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-13-28-18-9-7-16(8-10-18)20(24)11-12-21(25)23-15(2)17-5-4-6-19(14-17)29(22,26)27/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyGJKAWOCXMAKHQN-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.96
Rot. Bonds10

About 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide

4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide (PubChem CID 55396046) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
PubChem CID55396046
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-13-28-18-9-7-16(8-10-18)20(24)11-12-21(25)23-15(2)17-5-4-6-19(14-17)29(22,26)27/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyGJKAWOCXMAKHQN-UHFFFAOYSA-N
XLogP2.96
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
3-methyl-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]butanoic acid
CID 119348424
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 55641527
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55583981
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134002717
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide (CID 55396046) is 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide is CCCOc1ccc(C(=O)CCC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is GJKAWOCXMAKHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-13-28-18-9-7-16(8-10-18)20(24)11-12-21(25)23-15(2)17-5-4-6-19(14-17)29(22,26)27/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 418.52 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 55396046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).