4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

C23H26N2O5S — CID 23743652

IUPAC4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(N(CC3CCCO3)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C23H26N2O5S/c1-16-5-9-18(10-6-16)25-22(26)14-21(23(25)27)24(15-19-4-3-13-30-19)31(28,29)20-11-7-17(2)8-12-20/h5-12,19,21H,3-4,13-15H2,1-2H3
InChIKeyLWAXTIXFIALYGS-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.81
Rot. Bonds6

About 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 23743652) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID23743652
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(N(CC3CCCO3)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C23H26N2O5S/c1-16-5-9-18(10-6-16)25-22(26)14-21(23(25)27)24(15-19-4-3-13-30-19)31(28,29)20-11-7-17(2)8-12-20/h5-12,19,21H,3-4,13-15H2,1-2H3
InChIKeyLWAXTIXFIALYGS-UHFFFAOYSA-N
XLogP2.81
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 23970834
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 23830645
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 23859022
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
4-bromo-N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23914944
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 23970910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 23743652) is 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1ccc(N2C(=O)CC(N(CC3CCCO3)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is LWAXTIXFIALYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-16-5-9-18(10-6-16)25-22(26)14-21(23(25)27)24(15-19-4-3-13-30-19)31(28,29)20-11-7-17(2)8-12-20/h5-12,19,21H,3-4,13-15H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23743652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).