2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

C24H27ClN4O6S — CID 25049118

IUPAC2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H27ClN4O6S/c25-18-3-1-17(2-4-18)15-22(30)28(10-9-27-11-13-35-14-12-27)21-16-23(31)29(24(21)32)19-5-7-20(8-6-19)36(26,33)34/h1-8,21H,9-16H2,(H2,26,33,34)
InChIKeyQLPBKRDZXUXGIL-UHFFFAOYSA-N
MW535.02 g/mol
LogP1.02
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 25049118) has the molecular formula C24H27ClN4O6S and a molecular weight of 535.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID25049118
Molecular FormulaC24H27ClN4O6S
Molecular Weight535.02 g/mol
Exact Mass534.13
IUPAC Name2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H27ClN4O6S/c25-18-3-1-17(2-4-18)15-22(30)28(10-9-27-11-13-35-14-12-27)21-16-23(31)29(24(21)32)19-5-7-20(8-6-19)36(26,33)34/h1-8,21H,9-16H2,(H2,26,33,34)
InChIKeyQLPBKRDZXUXGIL-UHFFFAOYSA-N
XLogP1.02
TPSA130.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 25049118) is 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QLPBKRDZXUXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O6S/c25-18-3-1-17(2-4-18)15-22(30)28(10-9-27-11-13-35-14-12-27)21-16-23(31)29(24(21)32)19-5-7-20(8-6-19)36(26,33)34/h1-8,21H,9-16H2,(H2,26,33,34).
What are the key properties of 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 535.02 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 25049118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).