N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C21H23N3O5S2 — CID 25036355

IUPACN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H23N3O5S2/c22-31(28,29)16-10-8-15(9-11-16)24-19(25)13-17(20(24)26)23(14-5-2-1-3-6-14)21(27)18-7-4-12-30-18/h4,7-12,14,17H,1-3,5-6,13H2,(H2,22,28,29)
InChIKeyALDBSXKSKJCPFP-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.50
Rot. Bonds5

About N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide

N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 25036355) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID25036355
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H23N3O5S2/c22-31(28,29)16-10-8-15(9-11-16)24-19(25)13-17(20(24)26)23(14-5-2-1-3-6-14)21(27)18-7-4-12-30-18/h4,7-12,14,17H,1-3,5-6,13H2,(H2,22,28,29)
InChIKeyALDBSXKSKJCPFP-UHFFFAOYSA-N
XLogP2.50
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylthiophene-2-carboxamide
CID 23859377
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25048860
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
[4-[3-[cyclohexyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23971114
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide
CID 23859375
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25042115
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 25042291
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25039680
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 25036355) is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is ALDBSXKSKJCPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c22-31(28,29)16-10-8-15(9-11-16)24-19(25)13-17(20(24)26)23(14-5-2-1-3-6-14)21(27)18-7-4-12-30-18/h4,7-12,14,17H,1-3,5-6,13H2,(H2,22,28,29).
What are the key properties of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25036355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).