(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

C15H18F3N3OS — CID 33019286

IUPAC(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N3OS/c1-9(2)14(4,8-19)21-13(22)10(3)23-12-6-5-11(7-20-12)15(16,17)18/h5-7,9-10H,1-4H3,(H,21,22)/t10-,14-/m0/s1
InChIKeyCOYLWDYQFIFPRD-HZMBPMFUSA-N
MW345.39 g/mol
LogP3.64
Rot. Bonds5

About (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 33019286) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID33019286
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC Name(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N3OS/c1-9(2)14(4,8-19)21-13(22)10(3)23-12-6-5-11(7-20-12)15(16,17)18/h5-7,9-10H,1-4H3,(H,21,22)/t10-,14-/m0/s1
InChIKeyCOYLWDYQFIFPRD-HZMBPMFUSA-N
XLogP3.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide with MolForge

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Related Compounds

N-prop-2-ynyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 47145329
N-(3-cyanophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 78797006
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 55470376
(2R)-N-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 95900158
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 51184992
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25330471
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416
N-(3-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 46658841
N-(2-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 55368281
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 43426391
N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 47159240
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (CID 33019286) is (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is COYLWDYQFIFPRD-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H18F3N3OS/c1-9(2)14(4,8-19)21-13(22)10(3)23-12-6-5-11(7-20-12)15(16,17)18/h5-7,9-10H,1-4H3,(H,21,22)/t10-,14-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 345.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 33019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).