4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

C24H22N2O4S — CID 31511205

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-30-21-7-3-2-5-18(21)15-25(16-20-6-4-14-31-20)24(29)17-8-10-19(11-9-17)26-22(27)12-13-23(26)28/h2-11,14H,12-13,15-16H2,1H3
InChIKeyYBNYJLRRSAVEKT-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.25
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 31511205) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID31511205
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H22N2O4S/c1-30-21-7-3-2-5-18(21)15-25(16-20-6-4-14-31-20)24(29)17-8-10-19(11-9-17)26-22(27)12-13-23(26)28/h2-11,14H,12-13,15-16H2,1H3
InChIKeyYBNYJLRRSAVEKT-UHFFFAOYSA-N
XLogP4.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31119902
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
(E)-N-[(2-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55498850
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 26905550
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 31511205) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YBNYJLRRSAVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-30-21-7-3-2-5-18(21)15-25(16-20-6-4-14-31-20)24(29)17-8-10-19(11-9-17)26-22(27)12-13-23(26)28/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31511205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).