(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

C16H15ClN4OS — CID 92742256

IUPAC(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-2-13(15(22)19-11-7-4-3-6-10(11)17)23-16-20-12-8-5-9-18-14(12)21-16/h3-9,13H,2H2,1H3,(H,19,22)(H,18,20,21)/t13-/m1/s1
InChIKeyIPZINGWCGIETGB-CYBMUJFWSA-N
MW346.84 g/mol
LogP4.12
Rot. Bonds5

About (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide

(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide (PubChem CID 92742256) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
PubChem CID92742256
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
SMILESCC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-2-13(15(22)19-11-7-4-3-6-10(11)17)23-16-20-12-8-5-9-18-14(12)21-16/h3-9,13H,2H2,1H3,(H,19,22)(H,18,20,21)/t13-/m1/s1
InChIKeyIPZINGWCGIETGB-CYBMUJFWSA-N
XLogP4.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.12
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-methylphenyl)butanamide
CID 20908523
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide
CID 92503950
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 23772194
N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
CID 6625456
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23886348
2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
CID 23886369
(2R)-2-[[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-chlorophenyl)butanamide
CID 136777193
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
CID 135715589
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide (CID 92742256) is (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide is CC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is IPZINGWCGIETGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-2-13(15(22)19-11-7-4-3-6-10(11)17)23-16-20-12-8-5-9-18-14(12)21-16/h3-9,13H,2H2,1H3,(H,19,22)(H,18,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide?
(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 346.84 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 92742256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).