N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide

C16H18N2OS — CID 95139924

IUPACN-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESC[C@@H](NC(=O)CCSc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13(14-7-3-2-4-8-14)18-15(19)10-12-20-16-9-5-6-11-17-16/h2-9,11,13H,10,12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyQNNBDJCEMCDHRA-CYBMUJFWSA-N
MW286.40 g/mol
LogP3.44
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide

N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 95139924) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
PubChem CID95139924
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESC[C@@H](NC(=O)CCSc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13(14-7-3-2-4-8-14)18-15(19)10-12-20-16-9-5-6-11-17-16/h2-9,11,13H,10,12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyQNNBDJCEMCDHRA-CYBMUJFWSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
S-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl] ethanethioate
CID 54240548
N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide
CID 97051933
N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 110388295
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide (CID 95139924) is N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide is C[C@@H](NC(=O)CCSc1ccccn1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is QNNBDJCEMCDHRA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13(14-7-3-2-4-8-14)18-15(19)10-12-20-16-9-5-6-11-17-16/h2-9,11,13H,10,12H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide?
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 95139924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).