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

C19H22N2O4S2 — CID 23772810

IUPACN-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2C(=O)CC(N(C(C)(C)C)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C19H22N2O4S2/c1-13-7-9-14(10-8-13)20-16(22)12-15(18(20)23)21(19(2,3)4)27(24,25)17-6-5-11-26-17/h5-11,15H,12H2,1-4H3
InChIKeyZJAZXHOFPAKPBV-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.18
Rot. Bonds4

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

N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 23772810) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID23772810
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2C(=O)CC(N(C(C)(C)C)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C19H22N2O4S2/c1-13-7-9-14(10-8-13)20-16(22)12-15(18(20)23)21(19(2,3)4)27(24,25)17-6-5-11-26-17/h5-11,15H,12H2,1-4H3
InChIKeyZJAZXHOFPAKPBV-UHFFFAOYSA-N
XLogP3.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.18
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-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23998656
N-tert-butyl-4-methyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23801928
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25049099
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
CID 23743563
N-tert-butyl-4-methoxy-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23859077
N-tert-butyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23914825
4-[3-[tert-butyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25049106
4-[3-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25043192
methyl 4-[3-[tert-butyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743521
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25048860

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 23772810) is N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is Cc1ccc(N2C(=O)CC(N(C(C)(C)C)S(=O)(=O)c3cccs3)C2=O)cc1.
What is the InChIKey of N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ZJAZXHOFPAKPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-13-7-9-14(10-8-13)20-16(22)12-15(18(20)23)21(19(2,3)4)27(24,25)17-6-5-11-26-17/h5-11,15H,12H2,1-4H3.
What are the key properties of N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 23772810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).