2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C16H17FN2OS — CID 95316732

IUPAC2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@H](SCC(=O)NCc1ccccn1)c1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-12(14-7-2-3-8-15(14)17)21-11-16(20)19-10-13-6-4-5-9-18-13/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyCTCBBUIHRPXVFU-LBPRGKRZSA-N
MW304.39 g/mol
LogP3.33
Rot. Bonds6

About 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95316732) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95316732
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@H](SCC(=O)NCc1ccccn1)c1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-12(14-7-2-3-8-15(14)17)21-11-16(20)19-10-13-6-4-5-9-18-13/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyCTCBBUIHRPXVFU-LBPRGKRZSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 55913610
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
2-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 4781382
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
CID 110355632
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 95316732) is 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1F.
What is the InChIKey of 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CTCBBUIHRPXVFU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-12(14-7-2-3-8-15(14)17)21-11-16(20)19-10-13-6-4-5-9-18-13/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).