N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide

C17H17N3O2S — CID 71974649

IUPACN-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)Cc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-4-3-9-20-10-15(19-17(12)20)11-23(22)16-7-5-14(6-8-16)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeySJABKSMEOWMLKK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds4

About N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide

N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide (PubChem CID 71974649) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide
PubChem CID71974649
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)Cc2cn3cccc(C)c3n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-4-3-9-20-10-15(19-17(12)20)11-23(22)16-7-5-14(6-8-16)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeySJABKSMEOWMLKK-UHFFFAOYSA-N
XLogP2.91
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide?
The IUPAC name of N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide (CID 71974649) is N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)Cc2cn3cccc(C)c3n2)cc1.
What is the InChIKey of N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide?
The InChIKey is SJABKSMEOWMLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-4-3-9-20-10-15(19-17(12)20)11-23(22)16-7-5-14(6-8-16)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide?
N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]phenyl]acetamide is sourced from PubChem (CID 71974649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).