N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide

C16H20N2O2S — CID 97247799

IUPACN-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide
SMILESCS[C@H](CO)[C@H](C)NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H20N2O2S/c1-11(14(10-19)21-2)18-15(20)9-13-6-3-5-12-7-4-8-17-16(12)13/h3-8,11,14,19H,9-10H2,1-2H3,(H,18,20)/t11-,14+/m0/s1
InChIKeyIOXBHFQGYWDIMH-SMDDNHRTSA-N
MW304.41 g/mol
LogP2.01
Rot. Bonds6

About N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide

N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide (PubChem CID 97247799) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide
PubChem CID97247799
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide
SMILESCS[C@H](CO)[C@H](C)NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H20N2O2S/c1-11(14(10-19)21-2)18-15(20)9-13-6-3-5-12-7-4-8-17-16(12)13/h3-8,11,14,19H,9-10H2,1-2H3,(H,18,20)/t11-,14+/m0/s1
InChIKeyIOXBHFQGYWDIMH-SMDDNHRTSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-[1-(2-methylphenyl)ethyl]-2-quinolin-8-ylacetamide
CID 51320797
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
N-[1-(5-methylfuran-2-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320956
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
(2R)-2-phenyl-2-[(2-quinolin-8-ylacetyl)amino]acetamide
CID 94598983
N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
CID 51929652
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 103801162
methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
CID 95981734

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide (CID 97247799) is N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide is CS[C@H](CO)[C@H](C)NC(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide?
The InChIKey is IOXBHFQGYWDIMH-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(14(10-19)21-2)18-15(20)9-13-6-3-5-12-7-4-8-17-16(12)13/h3-8,11,14,19H,9-10H2,1-2H3,(H,18,20)/t11-,14+/m0/s1.
What are the key properties of N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide?
N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide has a molecular weight of 304.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 97247799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).