N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide

C25H29N3O6S — CID 23743631

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOC(CN(C1CC(=O)N(c2ccc(C#N)cc2)C1=O)S(=O)(=O)c1c(C)c(C)cc(C)c1C)OC
InChIInChI=1S/C25H29N3O6S/c1-15-11-16(2)18(4)24(17(15)3)35(31,32)27(14-23(33-5)34-6)21-12-22(29)28(25(21)30)20-9-7-19(13-26)8-10-20/h7-11,21,23H,12,14H2,1-6H3
InChIKeyGESXPYIVYDQNKE-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.73
Rot. Bonds8

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 23743631) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID23743631
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOC(CN(C1CC(=O)N(c2ccc(C#N)cc2)C1=O)S(=O)(=O)c1c(C)c(C)cc(C)c1C)OC
InChIInChI=1S/C25H29N3O6S/c1-15-11-16(2)18(4)24(17(15)3)35(31,32)27(14-23(33-5)34-6)21-12-22(29)28(25(21)30)20-9-7-19(13-26)8-10-20/h7-11,21,23H,12,14H2,1-6H3
InChIKeyGESXPYIVYDQNKE-UHFFFAOYSA-N
XLogP2.73
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 23914932
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 25046261
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
[4-[3-[2,2-dimethoxyethyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23970745
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23970661
N-butan-2-yl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 23772778
N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
CID 23942934
methyl 4-[2,5-dioxo-3-[2-(4-sulfamoylphenyl)ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]pyrrolidin-1-yl]benzoate
CID 25046236
N-tert-butyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23914825
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 23886844
4-[2-[[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-(4-methoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 25034702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 23743631) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide is COC(CN(C1CC(=O)N(c2ccc(C#N)cc2)C1=O)S(=O)(=O)c1c(C)c(C)cc(C)c1C)OC.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is GESXPYIVYDQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-15-11-16(2)18(4)24(17(15)3)35(31,32)27(14-23(33-5)34-6)21-12-22(29)28(25(21)30)20-9-7-19(13-26)8-10-20/h7-11,21,23H,12,14H2,1-6H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 499.59 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 23743631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).