N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

C23H27N3O8S — CID 23942934

About N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 23942934) has the molecular formula C23H27N3O8S and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 23942934
• Molecular Formula: C23H27N3O8S
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.15
• IUPAC Name: N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
• SMILES: COc1ccc(N2C(=O)CC(N(CC(OC)OC)S(=O)(=O)c3ccc(NC(C)=O)cc3)C2=O)cc1
• InChI: InChI=1S/C23H27N3O8S/c1-15(27)24-16-5-11-19(12-6-16)35(30,31)25(14-22(33-3)34-4)20-13-21(28)26(23(20)29)17-7-9-18(32-2)10-8-17/h5-12,20,22H,13-14H2,1-4H3,(H,24,27)
• InChIKey: ACKKGOIYUVKRPI-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 131.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (CID 23942934) is N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is COc1ccc(N2C(=O)CC(N(CC(OC)OC)S(=O)(=O)c3ccc(NC(C)=O)cc3)C2=O)cc1.

What is the InChIKey of N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?

The InChIKey is ACKKGOIYUVKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O8S/c1-15(27)24-16-5-11-19(12-6-16)35(30,31)25(14-22(33-3)34-4)20-13-21(28)26(23(20)29)17-7-9-18(32-2)10-8-17/h5-12,20,22H,13-14H2,1-4H3,(H,24,27).

What are the key properties of N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?

N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 505.55 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 23942934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).