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

C21H26N2O5S — CID 41041234

IUPAC4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-14-28-18-8-4-17(5-9-18)20(24)12-13-21(25)23-15(2)16-6-10-19(11-7-16)29(22,26)27/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)(H2,22,26,27)/t15-/m0/s1
InChIKeyZWQKUWUDBQJMRN-HNNXBMFYSA-N
MW418.52 g/mol
LogP2.96
Rot. Bonds10

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

4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 41041234) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID41041234
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-14-28-18-8-4-17(5-9-18)20(24)12-13-21(25)23-15(2)16-6-10-19(11-7-16)29(22,26)27/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)(H2,22,26,27)/t15-/m0/s1
InChIKeyZWQKUWUDBQJMRN-HNNXBMFYSA-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-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55689802
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55583981
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-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 7986584
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
N-[1-(4-sulfamoylphenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 45281533

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide (CID 41041234) is 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide is CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is ZWQKUWUDBQJMRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-14-28-18-8-4-17(5-9-18)20(24)12-13-21(25)23-15(2)16-6-10-19(11-7-16)29(22,26)27/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)(H2,22,26,27)/t15-/m0/s1.
What are the key properties of 4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide?
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-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-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 41041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).