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

C28H37N3O5S — CID 25042291

IUPACN-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H37N3O5S/c29-37(35,36)23-9-7-22(8-10-23)31-25(32)14-24(26(31)33)30(21-5-3-1-2-4-6-21)27(34)28-15-18-11-19(16-28)13-20(12-18)17-28/h7-10,18-21,24H,1-6,11-17H2,(H2,29,35,36)
InChIKeyHGXGRCTZUKPXKE-UHFFFAOYSA-N
MW527.69 g/mol
LogP3.73
Rot. Bonds5

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

N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 25042291) has the molecular formula C28H37N3O5S and a molecular weight of 527.69 g/mol. Its IUPAC name is N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID25042291
Molecular FormulaC28H37N3O5S
Molecular Weight527.69 g/mol
Exact Mass527.25
IUPAC NameN-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H37N3O5S/c29-37(35,36)23-9-7-22(8-10-23)31-25(32)14-24(26(31)33)30(21-5-3-1-2-4-6-21)27(34)28-15-18-11-19(16-28)13-20(12-18)17-28/h7-10,18-21,24H,1-6,11-17H2,(H2,29,35,36)
InChIKeyHGXGRCTZUKPXKE-UHFFFAOYSA-N
XLogP3.73
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.69
LogP ≤ 53.73
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-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23832441
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25036355
N-cyclopropyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774586
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-carbamoylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]adamantane-1-carboxamide
CID 25049308
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-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
CID 25048852

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide (CID 25042291) is N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCCC3)C2=O)cc1.
What is the InChIKey of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is HGXGRCTZUKPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5S/c29-37(35,36)23-9-7-22(8-10-23)31-25(32)14-24(26(31)33)30(21-5-3-1-2-4-6-21)27(34)28-15-18-11-19(16-28)13-20(12-18)17-28/h7-10,18-21,24H,1-6,11-17H2,(H2,29,35,36).
What are the key properties of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 527.69 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 25042291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).