6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione

C22H17NO4S — CID 59241849

IUPAC6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(Sc3cccc(O)c3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H17NO4S/c1-14-10-19-18(21(25)23(14)13-15-6-3-2-4-7-15)12-20(22(26)27-19)28-17-9-5-8-16(24)11-17/h2-12,24H,13H2,1H3
InChIKeyLFYHXVSENPXXEW-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.17
Rot. Bonds4

About 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione

6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59241849) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59241849
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(Sc3cccc(O)c3)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H17NO4S/c1-14-10-19-18(21(25)23(14)13-15-6-3-2-4-7-15)12-20(22(26)27-19)28-17-9-5-8-16(24)11-17/h2-12,24H,13H2,1H3
InChIKeyLFYHXVSENPXXEW-UHFFFAOYSA-N
XLogP4.17
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione (CID 59241849) is 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione is Cc1cc2oc(=O)c(Sc3cccc(O)c3)cc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is LFYHXVSENPXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c1-14-10-19-18(21(25)23(14)13-15-6-3-2-4-7-15)12-20(22(26)27-19)28-17-9-5-8-16(24)11-17/h2-12,24H,13H2,1H3.
What are the key properties of 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione?
6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 391.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(3-hydroxyphenyl)sulfanyl-7-methylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59241849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).