N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide

C17H13N3O3S — CID 164627890

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C17H13N3O3S/c21-17(10-14-11-18-16-3-1-2-7-20(14)16)19-13-5-4-12-6-8-24(22,23)15(12)9-13/h1-9,11H,10H2,(H,19,21)
InChIKeyQGRLVSOGRFHTQA-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.27
Rot. Bonds3

About N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide (PubChem CID 164627890) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide
PubChem CID164627890
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C17H13N3O3S/c21-17(10-14-11-18-16-3-1-2-7-20(14)16)19-13-5-4-12-6-8-24(22,23)15(12)9-13/h1-9,11H,10H2,(H,19,21)
InChIKeyQGRLVSOGRFHTQA-UHFFFAOYSA-N
XLogP2.27
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide (CID 164627890) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide.
What is the SMILES notation for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide is O=C(Cc1cnc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide?
The InChIKey is QGRLVSOGRFHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-17(10-14-11-18-16-3-1-2-7-20(14)16)19-13-5-4-12-6-8-24(22,23)15(12)9-13/h1-9,11H,10H2,(H,19,21).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide has a molecular weight of 339.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-imidazo[1,2-a]pyridin-3-ylacetamide is sourced from PubChem (CID 164627890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).