N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide

C28H24N4O5S — CID 23743623

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 23743623) has the molecular formula C28H24N4O5S and a molecular weight of 528.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
• PubChem CID: 23743623
• Molecular Formula: C28H24N4O5S
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.15
• IUPAC Name: N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1
• InChI: InChI=1S/C28H24N4O5S/c1-37-22-10-12-23(13-11-22)38(35,36)31(15-14-20-18-30-25-5-3-2-4-24(20)25)26-16-27(33)32(28(26)34)21-8-6-19(17-29)7-9-21/h2-13,18,26,30H,14-16H2,1H3
• InChIKey: MVSKPWQPFWUVCT-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 123.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?

The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide (CID 23743623) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide.

What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?

The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1.

What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?

The InChIKey is MVSKPWQPFWUVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5S/c1-37-22-10-12-23(13-11-22)38(35,36)31(15-14-20-18-30-25-5-3-2-4-24(20)25)26-16-27(33)32(28(26)34)21-8-6-19(17-29)7-9-21/h2-13,18,26,30H,14-16H2,1H3.

What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide?

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 528.59 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 23743623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).