N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide

C15H18N2OS — CID 7754818

IUPACN-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC[C@@H](C)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2OS/c1-3-11(2)16-14(18)10-19-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,11H,3,10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyYAOBYEJJEHDJIT-LLVKDONJSA-N
MW274.39 g/mol
LogP3.24
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide

N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7754818) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID7754818
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC[C@@H](C)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2OS/c1-3-11(2)16-14(18)10-19-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,11H,3,10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyYAOBYEJJEHDJIT-LLVKDONJSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7755371
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 42984842
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
CID 55597378
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40734697
2-quinolin-2-ylsulfanylacetamide
CID 2056006
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide (CID 7754818) is N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide is CC[C@@H](C)NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is YAOBYEJJEHDJIT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-11(2)16-14(18)10-19-15-9-8-12-6-4-5-7-13(12)17-15/h4-9,11H,3,10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 274.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7754818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).