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

C24H19N3O4S — CID 164620278

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O4S/c1-31-19-9-11-27-20(24(26-22(27)14-19)17-5-3-2-4-6-17)15-23(28)25-18-8-7-16-10-12-32(29,30)21(16)13-18/h2-14H,15H2,1H3,(H,25,28)
InChIKeyAOWBVZGGIBHUCB-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.95
Rot. Bonds5

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

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 164620278) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID164620278
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOc1ccn2c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O4S/c1-31-19-9-11-27-20(24(26-22(27)14-19)17-5-3-2-4-6-17)15-23(28)25-18-8-7-16-10-12-32(29,30)21(16)13-18/h2-14H,15H2,1H3,(H,25,28)
InChIKeyAOWBVZGGIBHUCB-UHFFFAOYSA-N
XLogP3.95
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 164620278) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-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-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is COc1ccn2c(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-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is AOWBVZGGIBHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-31-19-9-11-27-20(24(26-22(27)14-19)17-5-3-2-4-6-17)15-23(28)25-18-8-7-16-10-12-32(29,30)21(16)13-18/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 445.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(7-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 164620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).