5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide

C18H12N2O3S — CID 127029799

IUPAC5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cn1
InChIInChI=1S/C18H12N2O3S/c19-17(21)14-4-2-11(8-20-14)16-6-5-15(24-16)10-1-3-13-12(7-10)9-23-18(13)22/h1-8H,9H2,(H2,19,21)
InChIKeyZHXKLRNCGNSIRI-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.25
Rot. Bonds3

About 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide

5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide (PubChem CID 127029799) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide
PubChem CID127029799
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cn1
InChIInChI=1S/C18H12N2O3S/c19-17(21)14-4-2-11(8-20-14)16-6-5-15(24-16)10-1-3-13-12(7-10)9-23-18(13)22/h1-8H,9H2,(H2,19,21)
InChIKeyZHXKLRNCGNSIRI-UHFFFAOYSA-N
XLogP3.25
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53259666
7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56667019
4-Methyl-3-[5-(3-methyl-pyridin-4-ylcarbamoyl)-thiophen-2-yl]-benzoic acid methyl ester
CID 11710361
(5E)-5-[[6-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 57392678
5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one
CID 127029800
Methyl 5-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 155343281
Methyl 5-phenyl-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1225615
methyl 4-(((1-methyl-1H-pyrrol-2-yl)methyl)(thiophen-2-ylmethyl)carbamoyl)benzoate
CID 49676600
Methyl 4-((pyridin-2-ylmethyl)(thiophen-3-ylmethyl)carbamoyl)benzoate
CID 49715480
Methyl 4-({[2-(thiophen-3-yl)pyridin-4-yl]methyl}carbamoyl)benzoate
CID 91625625
Methyl 4-(((2-(thiophen-2-yl)pyridin-3-yl)methyl)carbamoyl)benzoate
CID 91625756
2-Methoxyethyl 3-[5-[(3,5-difluoro-4-pyridinyl)carbamoyl]thiophen-2-yl]-4-methylbenzoate
CID 11510295

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide (CID 127029799) is 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cn1.
What is the InChIKey of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide?
The InChIKey is ZHXKLRNCGNSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c19-17(21)14-4-2-11(8-20-14)16-6-5-15(24-16)10-1-3-13-12(7-10)9-23-18(13)22/h1-8H,9H2,(H2,19,21).
What are the key properties of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide?
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127029799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).