N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C29H31N3O5S — CID 25037000

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25037000) has the molecular formula C29H31N3O5S and a molecular weight of 533.65 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
• PubChem CID: 25037000
• Molecular Formula: C29H31N3O5S
• Molecular Weight: 533.65 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
• SMILES: CC(C)c1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)Cc3ccccc3)C2=O)cc1
• InChI: InChI=1S/C29H31N3O5S/c1-20(2)23-10-12-24(13-11-23)32-28(34)19-26(29(32)35)31(27(33)18-22-6-4-3-5-7-22)17-16-21-8-14-25(15-9-21)38(30,36)37/h3-15,20,26H,16-19H2,1-2H3,(H2,30,36,37)
• InChIKey: TYRHMXAXHHVTPQ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 117.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.65
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?

The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 25037000) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?

The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(C)c1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)Cc3ccccc3)C2=O)cc1.

What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?

The InChIKey is TYRHMXAXHHVTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5S/c1-20(2)23-10-12-24(13-11-23)32-28(34)19-26(29(32)35)31(27(33)18-22-6-4-3-5-7-22)17-16-21-8-14-25(15-9-21)38(30,36)37/h3-15,20,26H,16-19H2,1-2H3,(H2,30,36,37).

What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 533.65 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25037000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).