(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H16FN3OS — CID 129370764

IUPAC(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Sc1cc(C#N)ccn1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-12(23-16-10-14(11-19)7-8-20-16)17(22)21-9-6-13-2-4-15(18)5-3-13/h2-5,7-8,10,12H,6,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyVYRVGUGPFBQBED-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide

(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 129370764) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID129370764
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Sc1cc(C#N)ccn1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-12(23-16-10-14(11-19)7-8-20-16)17(22)21-9-6-13-2-4-15(18)5-3-13/h2-5,7-8,10,12H,6,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyVYRVGUGPFBQBED-GFCCVEGCSA-N
XLogP2.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
CID 86997502
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 122140434
2-[(2S)-3-oxopentan-2-yl]sulfanylpyridine-4-carbonitrile
CID 97313043
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(4-methylsulfanylphenyl)propanamide
CID 129370832
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 129370831
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018515
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
(2S)-N-[2-(4-nitrophenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030696
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86997503
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 129370764) is (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@@H](Sc1cc(C#N)ccn1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is VYRVGUGPFBQBED-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12(23-16-10-14(11-19)7-8-20-16)17(22)21-9-6-13-2-4-15(18)5-3-13/h2-5,7-8,10,12H,6,9H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 129370764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).