3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide

C22H26N2O6S — CID 133162271

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H26N2O6S/c1-5-17(15-6-8-19(29-3)14(2)12-15)23-31(27,28)16-7-9-20(30-4)18(13-16)24-21(25)10-11-22(24)26/h6-9,12-13,17,23H,5,10-11H2,1-4H3
InChIKeyDOGPJDUUUUXKTE-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.10
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide (PubChem CID 133162271) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
PubChem CID133162271
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H26N2O6S/c1-5-17(15-6-8-19(29-3)14(2)12-15)23-31(27,28)16-7-9-20(30-4)18(13-16)24-21(25)10-11-22(24)26/h6-9,12-13,17,23H,5,10-11H2,1-4H3
InChIKeyDOGPJDUUUUXKTE-UHFFFAOYSA-N
XLogP3.10
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 132665070
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 100667946
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
3-[(2-chlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133190085
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
CID 133262202

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide (CID 133162271) is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is DOGPJDUUUUXKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-5-17(15-6-8-19(29-3)14(2)12-15)23-31(27,28)16-7-9-20(30-4)18(13-16)24-21(25)10-11-22(24)26/h6-9,12-13,17,23H,5,10-11H2,1-4H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide?
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 133162271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).