1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H28N4O5S — CID 17120183

IUPAC1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)cc1
InChIInChI=1S/C23H28N4O5S/c1-3-4-13-24-33(31,32)21-11-7-19(8-12-21)26-23(30)17-14-22(29)27(15-17)20-9-5-18(6-10-20)25-16(2)28/h5-12,17,24H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKCUKRMIZZBEIPJ-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.71
Rot. Bonds9

About 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120183) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17120183
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)cc1
InChIInChI=1S/C23H28N4O5S/c1-3-4-13-24-33(31,32)21-11-7-19(8-12-21)26-23(30)17-14-22(29)27(15-17)20-9-5-18(6-10-20)25-16(2)28/h5-12,17,24H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyKCUKRMIZZBEIPJ-UHFFFAOYSA-N
XLogP2.71
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17321737
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002496
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40964186
N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160789
1-(3,4-dimethylphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497658
(3R)-1-(3,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40964184
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002442
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17120183) is 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KCUKRMIZZBEIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-3-4-13-24-33(31,32)21-11-7-19(8-12-21)26-23(30)17-14-22(29)27(15-17)20-9-5-18(6-10-20)25-16(2)28/h5-12,17,24H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).