2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

C24H18ClN3O3S — CID 164616757

IUPAC2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1
InChIInChI=1S/C24H18ClN3O3S/c1-15-2-9-22-27-24(17-3-6-18(25)7-4-17)20(28(22)14-15)13-23(29)26-19-8-5-16-10-11-32(30,31)21(16)12-19/h2-12,14H,13H2,1H3,(H,26,29)
InChIKeyYDONBFDTCQGBQO-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (PubChem CID 164616757) has the molecular formula C24H18ClN3O3S and a molecular weight of 463.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
PubChem CID164616757
Molecular FormulaC24H18ClN3O3S
Molecular Weight463.95 g/mol
Exact Mass463.08
IUPAC Name2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1
InChIInChI=1S/C24H18ClN3O3S/c1-15-2-9-22-27-24(17-3-6-18(25)7-4-17)20(28(22)14-15)13-23(29)26-19-8-5-16-10-11-32(30,31)21(16)12-19/h2-12,14H,13H2,1H3,(H,26,29)
InChIKeyYDONBFDTCQGBQO-UHFFFAOYSA-N
XLogP4.90
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (CID 164616757) is 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is Cc1ccc2nc(-c3ccc(Cl)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The InChIKey is YDONBFDTCQGBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3S/c1-15-2-9-22-27-24(17-3-6-18(25)7-4-17)20(28(22)14-15)13-23(29)26-19-8-5-16-10-11-32(30,31)21(16)12-19/h2-12,14H,13H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide has a molecular weight of 463.95 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is sourced from PubChem (CID 164616757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).