2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide

C18H18N2O3S — CID 715202

IUPAC2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc2c(c(SCC(=O)NCCc3ccccc3)n1)C(=O)OC2
InChIInChI=1S/C18H18N2O3S/c1-12-9-14-10-23-18(22)16(14)17(20-12)24-11-15(21)19-8-7-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFLYQWNCGBQMCRT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.51
Rot. Bonds6

About 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide

2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 715202) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID715202
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc2c(c(SCC(=O)NCCc3ccccc3)n1)C(=O)OC2
InChIInChI=1S/C18H18N2O3S/c1-12-9-14-10-23-18(22)16(14)17(20-12)24-11-15(21)19-8-7-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFLYQWNCGBQMCRT-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 715202) is 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide is Cc1cc2c(c(SCC(=O)NCCc3ccccc3)n1)C(=O)OC2.
What is the InChIKey of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is FLYQWNCGBQMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-9-14-10-23-18(22)16(14)17(20-12)24-11-15(21)19-8-7-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 715202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).