4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

C20H20N2O3S — CID 36725167

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-21(13-14-3-9-17(26-2)10-4-14)20(25)15-5-7-16(8-6-15)22-18(23)11-12-19(22)24/h3-10H,11-13H2,1-2H3
InChIKeyHRWUYAGIHSGZKL-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.33
Rot. Bonds5

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

4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 36725167) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID36725167
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-21(13-14-3-9-17(26-2)10-4-14)20(25)15-5-7-16(8-6-15)22-18(23)11-12-19(22)24/h3-10H,11-13H2,1-2H3
InChIKeyHRWUYAGIHSGZKL-UHFFFAOYSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 26619242
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25465262
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78771299
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 36725167) is 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is HRWUYAGIHSGZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-21(13-14-3-9-17(26-2)10-4-14)20(25)15-5-7-16(8-6-15)22-18(23)11-12-19(22)24/h3-10H,11-13H2,1-2H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 36725167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).