N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C24H19N3O3S — CID 164628570

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O3S/c1-16-9-11-27-20(24(26-22(27)13-16)18-5-3-2-4-6-18)15-23(28)25-19-8-7-17-10-12-31(29,30)21(17)14-19/h2-14H,15H2,1H3,(H,25,28)
InChIKeyCSZVPBYOKLWZEK-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.25
Rot. Bonds4

About N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 164628570) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID164628570
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O3S/c1-16-9-11-27-20(24(26-22(27)13-16)18-5-3-2-4-6-18)15-23(28)25-19-8-7-17-10-12-31(29,30)21(17)14-19/h2-14H,15H2,1H3,(H,25,28)
InChIKeyCSZVPBYOKLWZEK-UHFFFAOYSA-N
XLogP4.25
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.25
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-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 164628570) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is CSZVPBYOKLWZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-16-9-11-27-20(24(26-22(27)13-16)18-5-3-2-4-6-18)15-23(28)25-19-8-7-17-10-12-31(29,30)21(17)14-19/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 429.50 g/mol, XLogP of 4.25, 4 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-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 164628570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).