1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone

C18H13NO3S — CID 20767779

IUPAC1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(C)oc2cc(Oc3ccnc4ccsc34)ccc12
InChIInChI=1S/C18H13NO3S/c1-10(20)17-11(2)21-16-9-12(3-4-13(16)17)22-15-5-7-19-14-6-8-23-18(14)15/h3-9H,1-2H3
InChIKeySXHCFFMNJXNSRW-UHFFFAOYSA-N
MW323.37 g/mol
LogP5.35
Rot. Bonds3

About 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone

1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone (PubChem CID 20767779) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone
PubChem CID20767779
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(C)oc2cc(Oc3ccnc4ccsc34)ccc12
InChIInChI=1S/C18H13NO3S/c1-10(20)17-11(2)21-16-9-12(3-4-13(16)17)22-15-5-7-19-14-6-8-23-18(14)15/h3-9H,1-2H3
InChIKeySXHCFFMNJXNSRW-UHFFFAOYSA-N
XLogP5.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate
CID 2017736
6-(4-Methoxyphenyl)-4-(pyridin-2-ylmethoxy)-3-thiophen-2-yl-1-benzofuran-2-amine
CID 137639494
2-Methyl-6-(thieno[3,2-b]pyridin-7-yloxy)-benzofuran-3-carboxylic acid [2-(6-fluoro-1H-indol-3-yl)-ethyl]-amide
CID 20767889
[2-[3-[[2-[(4-Fluorophenyl)sulfanylmethyl]-3-methyl-1-benzofuran-4-yl]oxy]propyl]-3-pyridinyl]methanamine
CID 69922605
1-[1-[2-[3-Fluoro-4-[2-[5-(4-methoxybutyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone
CID 147229813
5-[3-Fluoro-4-[2-[5-(4-methoxybutyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-4-sulfanylidenepentan-2-one
CID 147955417
5-[3-Fluoro-4-[2-[5-(4-methoxybutyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one
CID 153189785
7-(2-Fluoro-4-methylphenoxy)-2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridine
CID 160161872
(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate
CID 943989
6-(2-[3-Methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yloxy)-2-(1-methylethyl)benzofuran-3-carboxylic acid methylamide
CID 10005904
2-Ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]benzofuran-3-carboxylic acid methylamide
CID 10345050
N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
CID 11292926

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone (CID 20767779) is 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone is CC(=O)c1c(C)oc2cc(Oc3ccnc4ccsc34)ccc12.
What is the InChIKey of 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone?
The InChIKey is SXHCFFMNJXNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c1-10(20)17-11(2)21-16-9-12(3-4-13(16)17)22-15-5-7-19-14-6-8-23-18(14)15/h3-9H,1-2H3.
What are the key properties of 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone?
1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone has a molecular weight of 323.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 20767779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).