2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide

C24H20N2O3S — CID 5263448

IUPAC2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O3S/c1-16-11-13-17(14-12-16)25-23(28)19-9-5-6-10-20(19)30-21-15-22(27)26(24(21)29)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3,(H,25,28)
InChIKeyUAVZILCQVKLIEP-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.67
Rot. Bonds5

About 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide

2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide (PubChem CID 5263448) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide
PubChem CID5263448
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O3S/c1-16-11-13-17(14-12-16)25-23(28)19-9-5-6-10-20(19)30-21-15-22(27)26(24(21)29)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3,(H,25,28)
InChIKeyUAVZILCQVKLIEP-UHFFFAOYSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide (CID 5263448) is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2SC2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide?
The InChIKey is UAVZILCQVKLIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-16-11-13-17(14-12-16)25-23(28)19-9-5-6-10-20(19)30-21-15-22(27)26(24(21)29)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3,(H,25,28).
What are the key properties of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide?
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide has a molecular weight of 416.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 5263448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).