7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

C20H21NO5S — CID 118022090

IUPAC7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1
InChIInChI=1S/C20H21NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyBETVUNCFWHWOTP-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.38
Rot. Bonds6

About 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 118022090) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
PubChem CID118022090
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1
InChIInChI=1S/C20H21NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13H,3-5,12H2,1-2H3
InChIKeyBETVUNCFWHWOTP-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 118022090) is 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is BETVUNCFWHWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 387.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 118022090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).