1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O6S — CID 2982580

IUPAC1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O6S/c1-30-19-6-4-18(5-7-19)25-15-16(14-21(25)26)22(27)23-17-2-8-20(9-3-17)32(28,29)24-10-12-31-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,27)
InChIKeyUEANASDZQKQAEL-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.71
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2982580) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2982580
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O6S/c1-30-19-6-4-18(5-7-19)25-15-16(14-21(25)26)22(27)23-17-2-8-20(9-3-17)32(28,29)24-10-12-31-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,27)
InChIKeyUEANASDZQKQAEL-UHFFFAOYSA-N
XLogP1.71
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide 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 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2982580) is 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UEANASDZQKQAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-30-19-6-4-18(5-7-19)25-15-16(14-21(25)26)22(27)23-17-2-8-20(9-3-17)32(28,29)24-10-12-31-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2982580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).