4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide

C21H26N2O5S — CID 2121886

IUPAC4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-3-4-15-28-18-9-5-16(6-10-18)20(24)13-14-21(25)23-17-7-11-19(12-8-17)29(22,26)27/h5-12H,2-4,13-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyIJBQYKGDFXMYSO-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.50
Rot. Bonds11

About 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide

4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide (PubChem CID 2121886) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
PubChem CID2121886
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-3-4-15-28-18-9-5-16(6-10-18)20(24)13-14-21(25)23-17-7-11-19(12-8-17)29(22,26)27/h5-12H,2-4,13-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyIJBQYKGDFXMYSO-UHFFFAOYSA-N
XLogP3.50
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.50
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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 4833159
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
N-(4-decoxyphenyl)butanamide
CID 143303175
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 32603422
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide (CID 2121886) is 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is IJBQYKGDFXMYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-2-3-4-15-28-18-9-5-16(6-10-18)20(24)13-14-21(25)23-17-7-11-19(12-8-17)29(22,26)27/h5-12H,2-4,13-15H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide?
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 418.52 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 2121886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).