2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide

C18H19N3O2S — CID 848027

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O2S/c1-3-4-14-6-5-13(11-19)18(21-14)24-12-17(22)20-15-7-9-16(23-2)10-8-15/h5-10H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyKCHILBJXRWZYCH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.65
Rot. Bonds7

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 848027) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID848027
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O2S/c1-3-4-14-6-5-13(11-19)18(21-14)24-12-17(22)20-15-7-9-16(23-2)10-8-15/h5-10H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyKCHILBJXRWZYCH-UHFFFAOYSA-N
XLogP3.65
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[[2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoyl]amino]acetic acid
CID 23745764
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25038387
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 689230
3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 23804271
N-(4-butoxyphenyl)-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 5155379
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3-ethyloxadiazol-3-ium-5-yl)acetamide
CID 53277483
2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25048885
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3207784
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 23973238
2-[5-cyano-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16751203

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 848027) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide is CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KCHILBJXRWZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-4-14-6-5-13(11-19)18(21-14)24-12-17(22)20-15-7-9-16(23-2)10-8-15/h5-10H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 848027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).