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

C21H19N3O4S2 — CID 43853538

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)c(C)c3)n2)cc1
InChIInChI=1S/C21H19N3O4S2/c1-13-3-5-15(6-4-13)17-12-29-21(22-17)23-30(27,28)16-7-8-18(14(2)11-16)24-19(25)9-10-20(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyWMERQVUYNZPMMA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.88
Rot. Bonds5

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

4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 43853538) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID43853538
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)c(C)c3)n2)cc1
InChIInChI=1S/C21H19N3O4S2/c1-13-3-5-15(6-4-13)17-12-29-21(22-17)23-30(27,28)16-7-8-18(14(2)11-16)24-19(25)9-10-20(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyWMERQVUYNZPMMA-UHFFFAOYSA-N
XLogP3.88
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286657
3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110446641
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25036163
N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853558
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853583
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 43853538) is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)c(C)c3)n2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is WMERQVUYNZPMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-13-3-5-15(6-4-13)17-12-29-21(22-17)23-30(27,28)16-7-8-18(14(2)11-16)24-19(25)9-10-20(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 43853538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).