3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide

C21H24N2O6S — CID 100557463

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-15-4-6-16(7-5-15)29-13-12-22-30(26,27)17-8-9-19(28-2)18(14-17)23-20(24)10-11-21(23)25/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyWXRFLESQZXOBGY-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.27
Rot. Bonds9

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 100557463) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide
PubChem CID100557463
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-15-4-6-16(7-5-15)29-13-12-22-30(26,27)17-8-9-19(28-2)18(14-17)23-20(24)10-11-21(23)25/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyWXRFLESQZXOBGY-UHFFFAOYSA-N
XLogP2.27
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100758452
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-[4-(cyanomethyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100637490
4-methoxy-N-(3-methoxypropyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30393955
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide (CID 100557463) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide is CCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is WXRFLESQZXOBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-3-15-4-6-16(7-5-15)29-13-12-22-30(26,27)17-8-9-19(28-2)18(14-17)23-20(24)10-11-21(23)25/h4-9,14,22H,3,10-13H2,1-2H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 2.27, 9 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)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 100557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).