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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Related Compounds

[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-thiomorpholin-4-yl-methanone
CID 716993
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3351955
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 3548679
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 3738243
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 4364661
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-fluorobenzyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16013269
1-(1,1-Dioxidotetrahydro-3-thienyl)-4-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]piperazine
CID 24817431
N-benzyl-N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4502955
US10023592, Example 348
CID 118021853
US10023592, Example 258
CID 118021941
US10941160, Example 258
CID 123381073
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)furan-2-carboxamide
CID 664302

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).