N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C25H25N5O4S — CID 23861160

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)CSc3nccn3C)C2=O)cc1
InChIInChI=1S/C25H25N5O4S/c1-17(31)27-19-8-10-20(11-9-19)30-22(32)14-21(24(30)34)29(15-18-6-4-3-5-7-18)23(33)16-35-25-26-12-13-28(25)2/h3-13,21H,14-16H2,1-2H3,(H,27,31)
InChIKeyVLOSZJXBTRVABZ-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.83
Rot. Bonds8

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 23861160) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID23861160
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)CSc3nccn3C)C2=O)cc1
InChIInChI=1S/C25H25N5O4S/c1-17(31)27-19-8-10-20(11-9-19)30-22(32)14-21(24(30)34)29(15-18-6-4-3-5-7-18)23(33)16-35-25-26-12-13-28(25)2/h3-13,21H,14-16H2,1-2H3,(H,27,31)
InChIKeyVLOSZJXBTRVABZ-UHFFFAOYSA-N
XLogP2.83
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide 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

N-benzyl-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23972954
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N-benzyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23832747
N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23832751
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)cyclohexanecarboxamide
CID 23971077
N-benzyl-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 23972949
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23916943
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 4545161

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 23861160) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)CSc3nccn3C)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VLOSZJXBTRVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-17(31)27-19-8-10-20(11-9-19)30-22(32)14-21(24(30)34)29(15-18-6-4-3-5-7-18)23(33)16-35-25-26-12-13-28(25)2/h3-13,21H,14-16H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 491.57 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 23861160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).