4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C18H18N2O3S — CID 71991540

IUPAC4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-20(10-13-6-7-24-11-13)18(23)14-4-2-12(3-5-14)8-15-9-16(21)19-17(15)22/h2-7,11,15H,8-10H2,1H3,(H,19,21,22)
InChIKeyBQEXOVRMHZSAFE-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.23
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide

4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 71991540) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID71991540
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-20(10-13-6-7-24-11-13)18(23)14-4-2-12(3-5-14)8-15-9-16(21)19-17(15)22/h2-7,11,15H,8-10H2,1H3,(H,19,21,22)
InChIKeyBQEXOVRMHZSAFE-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide 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-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117382
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-4-phenylbenzamide
CID 10029218
4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 71995290
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
(3S)-N-methyl-1-oxo-3-phenyl-N-(thiophen-3-ylmethyl)-3,4-dihydroisochromene-6-carboxamide
CID 41103870
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 71991540) is 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is BQEXOVRMHZSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-20(10-13-6-7-24-11-13)18(23)14-4-2-12(3-5-14)8-15-9-16(21)19-17(15)22/h2-7,11,15H,8-10H2,1H3,(H,19,21,22).
What are the key properties of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 71991540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).