2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide

C16H16ClFN2OS — CID 51321935

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Sc1ncccc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2OS/c1-10(12-5-7-13(18)8-6-12)20-15(21)11(2)22-16-14(17)4-3-9-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyQESHTGKPIYCVRB-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.23
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 51321935) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID51321935
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Sc1ncccc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2OS/c1-10(12-5-7-13(18)8-6-12)20-15(21)11(2)22-16-14(17)4-3-9-19-16/h3-11H,1-2H3,(H,20,21)
InChIKeyQESHTGKPIYCVRB-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7690519
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785107
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7675728
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428
ethyl 2-[(3-chloro-2-pyridinyl)sulfanyl]propanoate
CID 62046154
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
[(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 26439901
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7514237

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 51321935) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide is CC(Sc1ncccc1Cl)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is QESHTGKPIYCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c1-10(12-5-7-13(18)8-6-12)20-15(21)11(2)22-16-14(17)4-3-9-19-16/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 338.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 51321935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).