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

C20H25N3O5S — CID 25037934

IUPACN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O5S/c21-29(27,28)16-10-8-15(9-11-16)23-18(24)12-17(20(23)26)22(19(25)13-6-7-13)14-4-2-1-3-5-14/h8-11,13-14,17H,1-7,12H2,(H2,21,27,28)
InChIKeyAXCYUJMAKYKWES-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.54
Rot. Bonds5

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

N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 25037934) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID25037934
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O5S/c21-29(27,28)16-10-8-15(9-11-16)23-18(24)12-17(20(23)26)22(19(25)13-6-7-13)14-4-2-1-3-5-14/h8-11,13-14,17H,1-7,12H2,(H2,21,27,28)
InChIKeyAXCYUJMAKYKWES-UHFFFAOYSA-N
XLogP1.54
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 25042291
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25036355
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
CID 25048852
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 25042105
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 25044971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 25037934) is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is AXCYUJMAKYKWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c21-29(27,28)16-10-8-15(9-11-16)23-18(24)12-17(20(23)26)22(19(25)13-6-7-13)14-4-2-1-3-5-14/h8-11,13-14,17H,1-7,12H2,(H2,21,27,28).
What are the key properties of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25037934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).