N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide

C20H24N2O4S2 — CID 23998656

IUPACN-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCC(C)(C)N(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H24N2O4S2/c1-5-20(3,4)22(28(25,26)18-7-6-12-27-18)16-13-17(23)21(19(16)24)15-10-8-14(2)9-11-15/h6-12,16H,5,13H2,1-4H3
InChIKeyKPWNZBXLVWVAIC-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.57
Rot. Bonds6

About N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 23998656) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID23998656
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCC(C)(C)N(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H24N2O4S2/c1-5-20(3,4)22(28(25,26)18-7-6-12-27-18)16-13-17(23)21(19(16)24)15-10-8-14(2)9-11-15/h6-12,16H,5,13H2,1-4H3
InChIKeyKPWNZBXLVWVAIC-UHFFFAOYSA-N
XLogP3.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.57
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

N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772810
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23998726
4-bromo-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23801800
4-[3-[(4-fluorophenyl)sulfonyl-(2-methylbutan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25044948
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23830578
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
4-bromo-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23830577
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25049099
2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972507
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
N-[4-[[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-(2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 23830712

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 23998656) is N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is CCC(C)(C)N(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is KPWNZBXLVWVAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-5-20(3,4)22(28(25,26)18-7-6-12-27-18)16-13-17(23)21(19(16)24)15-10-8-14(2)9-11-15/h6-12,16H,5,13H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 420.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 23998656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).