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

C26H31N3O7S — CID 25036502

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

N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 25036502) has the molecular formula C26H31N3O7S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
• PubChem CID: 25036502
• Molecular Formula: C26H31N3O7S
• Molecular Weight: 529.62 g/mol
• Exact Mass: 529.19
• IUPAC Name: N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)N(C2CCCCCC2)C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC
• InChI: InChI=1S/C26H31N3O7S/c1-35-22-14-9-17(15-23(22)36-2)25(31)28(18-7-5-3-4-6-8-18)21-16-24(30)29(26(21)32)19-10-12-20(13-11-19)37(27,33)34/h9-15,18,21H,3-8,16H2,1-2H3,(H2,27,33,34)
• InChIKey: WBRUALWFYIFOMA-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 136.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.62
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide (CID 25036502) is N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(C2CCCCCC2)C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC.

What is the InChIKey of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The InChIKey is WBRUALWFYIFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7S/c1-35-22-14-9-17(15-23(22)36-2)25(31)28(18-7-5-3-4-6-8-18)21-16-24(30)29(26(21)32)19-10-12-20(13-11-19)37(27,33)34/h9-15,18,21H,3-8,16H2,1-2H3,(H2,27,33,34).

What are the key properties of N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 529.62 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 25036502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).