2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide

C15H16N2O2S — CID 75482272

IUPAC2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
SMILESCOc1cccc(CSCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C15H16N2O2S/c1-19-14-4-2-3-12(9-14)10-20-11-15(18)17-13-5-7-16-8-6-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyCFFNYIHPQJHGKH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.96
Rot. Bonds6

About 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide

2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide (PubChem CID 75482272) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
PubChem CID75482272
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
SMILESCOc1cccc(CSCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C15H16N2O2S/c1-19-14-4-2-3-12(9-14)10-20-11-15(18)17-13-5-7-16-8-6-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyCFFNYIHPQJHGKH-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 75434522
ethyl 3-[[2-(4-methoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 7729626
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
CID 49153739
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide (CID 75482272) is 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide is COc1cccc(CSCC(=O)Nc2ccncc2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The InChIKey is CFFNYIHPQJHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-14-4-2-3-12(9-14)10-20-11-15(18)17-13-5-7-16-8-6-13/h2-9H,10-11H2,1H3,(H,16,17,18).
What are the key properties of 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 75482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).