2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide

C23H37N3OS — CID 14995435

IUPAC2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide
SMILESCCCCCCCCC(SCCCCCC)C(=O)Nc1cnc2ccccn12
InChIInChI=1S/C23H37N3OS/c1-3-5-7-9-10-11-15-20(28-18-14-8-6-4-2)23(27)25-22-19-24-21-16-12-13-17-26(21)22/h12-13,16-17,19-20H,3-11,14-15,18H2,1-2H3,(H,25,27)
InChIKeyOYXAMZYKSUJJDQ-UHFFFAOYSA-N
MW403.64 g/mol
LogP6.71
Rot. Bonds15

About 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide

2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide (PubChem CID 14995435) has the molecular formula C23H37N3OS and a molecular weight of 403.64 g/mol. Its IUPAC name is 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide.

Molecular Properties

Compound Name2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide
PubChem CID14995435
Molecular FormulaC23H37N3OS
Molecular Weight403.64 g/mol
Exact Mass403.27
IUPAC Name2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide
SMILESCCCCCCCCC(SCCCCCC)C(=O)Nc1cnc2ccccn12
InChIInChI=1S/C23H37N3OS/c1-3-5-7-9-10-11-15-20(28-18-14-8-6-4-2)23(27)25-22-19-24-21-16-12-13-17-26(21)22/h12-13,16-17,19-20H,3-11,14-15,18H2,1-2H3,(H,25,27)
InChIKeyOYXAMZYKSUJJDQ-UHFFFAOYSA-N
XLogP6.71
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexylsulfanyldecanamide
CID 19027774
N-(4-ethoxy-6-methylsulfanylpyrimidin-5-yl)-2-hexylsulfanyldecanamide
CID 67710032
2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide
CID 67710039
(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
CID 95629165
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
2-hexylsulfanyldecanoyl chloride
CID 19027841
3-dodecylsulfanyl-4-(3-methylanilino)-4-oxobutanoic acid
CID 22889843
N-[4-(imidazo[1,2-a]pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 76848931
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
3-[6-(methyldisulfanyl)hexyl]pyrido[1,2-a]pyrimidin-4-one
CID 143696586
2-dodecylsulfanylhexanoic acid
CID 89266983

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide?
The IUPAC name of 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide (CID 14995435) is 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide.
What is the SMILES notation for 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide?
The canonical SMILES for 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide is CCCCCCCCC(SCCCCCC)C(=O)Nc1cnc2ccccn12.
What is the InChIKey of 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide?
The InChIKey is OYXAMZYKSUJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3OS/c1-3-5-7-9-10-11-15-20(28-18-14-8-6-4-2)23(27)25-22-19-24-21-16-12-13-17-26(21)22/h12-13,16-17,19-20H,3-11,14-15,18H2,1-2H3,(H,25,27).
What are the key properties of 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide?
2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide has a molecular weight of 403.64 g/mol, XLogP of 6.71, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide is sourced from PubChem (CID 14995435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).