4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one

C18H19NO5S — CID 118028287

IUPAC4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCCOc1ccc(CS(C)(=O)=O)cc1-c1cn(C)c(=O)c2occc12
InChIInChI=1S/C18H19NO5S/c1-4-23-16-6-5-12(11-25(3,21)22)9-14(16)15-10-19(2)18(20)17-13(15)7-8-24-17/h5-10H,4,11H2,1-3H3
InChIKeyQLYJJVKLJCPSIE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.74
Rot. Bonds5

About 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one

4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one (PubChem CID 118028287) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one
PubChem CID118028287
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCCOc1ccc(CS(C)(=O)=O)cc1-c1cn(C)c(=O)c2occc12
InChIInChI=1S/C18H19NO5S/c1-4-23-16-6-5-12(11-25(3,21)22)9-14(16)15-10-19(2)18(20)17-13(15)7-8-24-17/h5-10H,4,11H2,1-3H3
InChIKeyQLYJJVKLJCPSIE-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one (CID 118028287) is 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one is CCOc1ccc(CS(C)(=O)=O)cc1-c1cn(C)c(=O)c2occc12.
What is the InChIKey of 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The InChIKey is QLYJJVKLJCPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-4-23-16-6-5-12(11-25(3,21)22)9-14(16)15-10-19(2)18(20)17-13(15)7-8-24-17/h5-10H,4,11H2,1-3H3.
What are the key properties of 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one?
4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one has a molecular weight of 361.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one is sourced from PubChem (CID 118028287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).