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

C23H17N3O3S — CID 164611499

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H17N3O3S/c27-22(24-18-10-9-16-11-13-30(28,29)20(16)14-18)15-19-23(17-6-2-1-3-7-17)25-21-8-4-5-12-26(19)21/h1-14H,15H2,(H,24,27)
InChIKeyLFGXQZDCQZGRCT-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.94
Rot. Bonds4

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

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 164611499) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID164611499
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H17N3O3S/c27-22(24-18-10-9-16-11-13-30(28,29)20(16)14-18)15-19-23(17-6-2-1-3-7-17)25-21-8-4-5-12-26(19)21/h1-14H,15H2,(H,24,27)
InChIKeyLFGXQZDCQZGRCT-UHFFFAOYSA-N
XLogP3.94
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.94
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-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 164611499) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is O=C(Cc1c(-c2ccccc2)nc2ccccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is LFGXQZDCQZGRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-22(24-18-10-9-16-11-13-30(28,29)20(16)14-18)15-19-23(17-6-2-1-3-7-17)25-21-8-4-5-12-26(19)21/h1-14H,15H2,(H,24,27).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.94, 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-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 164611499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).