2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide

C16H15N3O3S — CID 91587206

IUPAC2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(CC(N)=O)cn3c2)c1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)14-4-2-3-11(7-14)12-5-6-16-18-13(8-15(17)20)10-19(16)9-12/h2-7,9-10H,8H2,1H3,(H2,17,20)
InChIKeyGBEIQDKUFZUMND-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.43
Rot. Bonds4

About 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide

2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 91587206) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID91587206
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(CC(N)=O)cn3c2)c1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)14-4-2-3-11(7-14)12-5-6-16-18-13(8-15(17)20)10-19(16)9-12/h2-7,9-10H,8H2,1H3,(H2,17,20)
InChIKeyGBEIQDKUFZUMND-UHFFFAOYSA-N
XLogP1.43
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 91587206) is 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide is CS(=O)(=O)c1cccc(-c2ccc3nc(CC(N)=O)cn3c2)c1.
What is the InChIKey of 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is GBEIQDKUFZUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(21,22)14-4-2-3-11(7-14)12-5-6-16-18-13(8-15(17)20)10-19(16)9-12/h2-7,9-10H,8H2,1H3,(H2,17,20).
What are the key properties of 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 91587206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).