5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one

C17H11NO2S — CID 127029800

IUPAC5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccncc4)s3)ccc21
InChIInChI=1S/C17H11NO2S/c19-17-14-2-1-12(9-13(14)10-20-17)16-4-3-15(21-16)11-5-7-18-8-6-11/h1-9H,10H2
InChIKeyZXWNSNDAIYJWIF-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.15
Rot. Bonds2

About 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one

5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one (PubChem CID 127029800) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one
PubChem CID127029800
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccncc4)s3)ccc21
InChIInChI=1S/C17H11NO2S/c19-17-14-2-1-12(9-13(14)10-20-17)16-4-3-15(21-16)11-5-7-18-8-6-11/h1-9H,10H2
InChIKeyZXWNSNDAIYJWIF-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56667019
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide
CID 127029799
4-Methyl-3-[5-(3-methyl-pyridin-4-ylcarbamoyl)-thiophen-2-yl]-benzoic acid methyl ester
CID 11710361
Methyl 4-(3-fluorophenyl)thieno[2,3-c]pyridine-2-carboxylate
CID 49830796
5-Carboxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)thiophene
CID 21988502
5-Ethoxycarbonyl-2-(4-fluorophenyl)-3-(pyridin-4-yl)thiophene
CID 21988507
Methyl 2-[5-(4-fluorophenyl)-2-(4-hydroxybut-1-ynyl)-4-pyridin-4-ylthiophen-3-yl]benzoate
CID 118903747
Methyl 3-[5-(4-fluorophenyl)-2-(4-hydroxybut-1-ynyl)-4-pyridin-4-ylthiophen-3-yl]benzoate
CID 118903757
Methyl thieno[3,2-c]pyridine-2-carboxylate
CID 22047666
Ethyl 6,6-dimethyl-4-oxo-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate
CID 2821005
Ethyl 2-amino-5-(4-pyridin-4-ylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CID 44456728
Ethyl 4-methyl-5-phenyl-2-pyrrol-1-ylthiophene-3-carboxylate
CID 44817557

Frequently Asked Questions

What is the IUPAC name of 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one (CID 127029800) is 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3ccc(-c4ccncc4)s3)ccc21.
What is the InChIKey of 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is ZXWNSNDAIYJWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-17-14-2-1-12(9-13(14)10-20-17)16-4-3-15(21-16)11-5-7-18-8-6-11/h1-9H,10H2.
What are the key properties of 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one?
5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 293.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 127029800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).