N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide

C25H25N3O4S — CID 23970910

IUPACN-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CCCO1)C1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O
InChIInChI=1S/C25H25N3O4S/c1-15-5-10-20-22(12-15)33-24(26-20)17-6-8-18(9-7-17)28-23(30)13-21(25(28)31)27(16(2)29)14-19-4-3-11-32-19/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3
InChIKeyOBIPSUFRJXWRJV-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide

N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 23970910) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID23970910
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC1CCCO1)C1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O
InChIInChI=1S/C25H25N3O4S/c1-15-5-10-20-22(12-15)33-24(26-20)17-6-8-18(9-7-17)28-23(30)13-21(25(28)31)27(16(2)29)14-19-4-3-11-32-19/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3
InChIKeyOBIPSUFRJXWRJV-UHFFFAOYSA-N
XLogP3.93
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide 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-chloro-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 23972401
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 23886988
N-[(4-fluorophenyl)methyl]-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23998767
N-cyclohexyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 23859326
2-(4-chlorophenyl)-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23998800
N-cyclohexyl-4-fluoro-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23832302
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23773011
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23888598
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 3314754
N-cyclopentyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 23998820
N-cyclohexyl-3,4-dimethoxy-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23888409
N-[2-(3-chlorophenyl)ethyl]-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23887079

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 23970910) is N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC1CCCO1)C1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O.
What is the InChIKey of N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OBIPSUFRJXWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-5-10-20-22(12-15)33-24(26-20)17-6-8-18(9-7-17)28-23(30)13-21(25(28)31)27(16(2)29)14-19-4-3-11-32-19/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide?
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 23970910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).