4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

C25H25N3O7S2 — CID 25037912

IUPAC4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C25H25N3O7S2/c1-35-20-9-13-22(14-10-20)37(33,34)27(16-15-18-5-3-2-4-6-18)23-17-24(29)28(25(23)30)19-7-11-21(12-8-19)36(26,31)32/h2-14,23H,15-17H2,1H3,(H2,26,31,32)
InChIKeyHITPPGQUZGYKNF-UHFFFAOYSA-N
MW543.62 g/mol
LogP1.91
Rot. Bonds9

About 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 25037912) has the molecular formula C25H25N3O7S2 and a molecular weight of 543.62 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID25037912
Molecular FormulaC25H25N3O7S2
Molecular Weight543.62 g/mol
Exact Mass543.11
IUPAC Name4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C25H25N3O7S2/c1-35-20-9-13-22(14-10-20)37(33,34)27(16-15-18-5-3-2-4-6-18)23-17-24(29)28(25(23)30)19-7-11-21(12-8-19)36(26,31)32/h2-14,23H,15-17H2,1H3,(H2,26,31,32)
InChIKeyHITPPGQUZGYKNF-UHFFFAOYSA-N
XLogP1.91
TPSA144.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (CID 25037912) is 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is HITPPGQUZGYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O7S2/c1-35-20-9-13-22(14-10-20)37(33,34)27(16-15-18-5-3-2-4-6-18)23-17-24(29)28(25(23)30)19-7-11-21(12-8-19)36(26,31)32/h2-14,23H,15-17H2,1H3,(H2,26,31,32).
What are the key properties of 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 543.62 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 25037912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).