3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide

C23H28N2O5S — CID 133262202

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C23H28N2O5S/c1-16(15-23(2,3)17-8-6-5-7-9-17)24-31(28,29)18-10-11-20(30-4)19(14-18)25-21(26)12-13-22(25)27/h5-11,14,16,24H,12-13,15H2,1-4H3
InChIKeySWKLOXWKMIPZFU-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.38
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide (PubChem CID 133262202) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
PubChem CID133262202
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C23H28N2O5S/c1-16(15-23(2,3)17-8-6-5-7-9-17)24-31(28,29)18-10-11-20(30-4)19(14-18)25-21(26)12-13-22(25)27/h5-11,14,16,24H,12-13,15H2,1-4H3
InChIKeySWKLOXWKMIPZFU-UHFFFAOYSA-N
XLogP3.38
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-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

Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 100667946
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271
methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate
CID 133235477
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100758452
1-(cyclopropanecarbonyl)-N-(4-methyl-4-phenylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 133160493
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100749615
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide (CID 133262202) is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)cc1N1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide?
The InChIKey is SWKLOXWKMIPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-16(15-23(2,3)17-8-6-5-7-9-17)24-31(28,29)18-10-11-20(30-4)19(14-18)25-21(26)12-13-22(25)27/h5-11,14,16,24H,12-13,15H2,1-4H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide?
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide has a molecular weight of 444.55 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 133262202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).