N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C16H16N4OS — CID 720190

IUPACN-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C16H16N4OS/c1-10-5-3-6-11(2)14(10)19-13(21)9-22-16-18-12-7-4-8-17-15(12)20-16/h3-8H,9H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyXFXSIQZVGZDKPZ-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.31
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 720190) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID720190
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C16H16N4OS/c1-10-5-3-6-11(2)14(10)19-13(21)9-22-16-18-12-7-4-8-17-15(12)20-16/h3-8H,9H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyXFXSIQZVGZDKPZ-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 135445799
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 7756005
N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 163506125
N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide
CID 162658675
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7624406
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 7624317
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 720190) is N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is XFXSIQZVGZDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-5-3-6-11(2)14(10)19-13(21)9-22-16-18-12-7-4-8-17-15(12)20-16/h3-8H,9H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 720190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).