4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

C26H28N2O2S — CID 46700054

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(C)c1ccc(C(NC(=O)c2ccc(CN3CCCC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C26H28N2O2S/c1-18(2)20-11-13-21(14-12-20)25(23-5-4-16-31-23)27-26(30)22-9-7-19(8-10-22)17-28-15-3-6-24(28)29/h4-5,7-14,16,18,25H,3,6,15,17H2,1-2H3,(H,27,30)
InChIKeySUKNETGEPCZQEZ-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.51
Rot. Bonds7

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 46700054) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID46700054
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(C)c1ccc(C(NC(=O)c2ccc(CN3CCCC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C26H28N2O2S/c1-18(2)20-11-13-21(14-12-20)25(23-5-4-16-31-23)27-26(30)22-9-7-19(8-10-22)17-28-15-3-6-24(28)29/h4-5,7-14,16,18,25H,3,6,15,17H2,1-2H3,(H,27,30)
InChIKeySUKNETGEPCZQEZ-UHFFFAOYSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-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-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119526669
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-propan-2-ylphenyl)benzamide
CID 8732907
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46580236
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
CID 119362065
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (CID 46700054) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is CC(C)c1ccc(C(NC(=O)c2ccc(CN3CCCC3=O)cc2)c2cccs2)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is SUKNETGEPCZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-18(2)20-11-13-21(14-12-20)25(23-5-4-16-31-23)27-26(30)22-9-7-19(8-10-22)17-28-15-3-6-24(28)29/h4-5,7-14,16,18,25H,3,6,15,17H2,1-2H3,(H,27,30).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 432.59 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 46700054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).