N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide

C21H22N2OS — CID 7755322

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H22N2OS/c1-3-15(2)17-9-5-7-11-19(17)22-20(24)14-25-21-13-12-16-8-4-6-10-18(16)23-21/h4-13,15H,3,14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyIKAHLJKPIFETEC-HNNXBMFYSA-N
MW350.49 g/mol
LogP5.48
Rot. Bonds6

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

N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755322) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755322
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H22N2OS/c1-3-15(2)17-9-5-7-11-19(17)22-20(24)14-25-21-13-12-16-8-4-6-10-18(16)23-21/h4-13,15H,3,14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyIKAHLJKPIFETEC-HNNXBMFYSA-N
XLogP5.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
CID 55597378
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7845285
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794172
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide (CID 7755322) is N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide is CC[C@H](C)c1ccccc1NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is IKAHLJKPIFETEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-15(2)17-9-5-7-11-19(17)22-20(24)14-25-21-13-12-16-8-4-6-10-18(16)23-21/h4-13,15H,3,14H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 350.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).