N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide

C15H16N2OS — CID 684786

IUPACN-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyHZHTUZCZIRRQLH-GFCCVEGCSA-N
MW272.37 g/mol
LogP3.05
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide

N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 684786) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID684786
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyHZHTUZCZIRRQLH-GFCCVEGCSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91775450
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
methyl (2R,3S)-3-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]pentanoate
CID 9347438
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide (CID 684786) is N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide is C[C@@H](NC(=O)CSc1ccccn1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is HZHTUZCZIRRQLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12(13-7-3-2-4-8-13)17-14(18)11-19-15-9-5-6-10-16-15/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide?
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 272.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 684786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).