N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

C18H24N2OS — CID 2582039

IUPACN-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1
InChIInChI=1S/C18H24N2OS/c1-6-14(5)19-16(21)10-22-17-9-12(3)15-8-11(2)7-13(4)18(15)20-17/h7-9,14H,6,10H2,1-5H3,(H,19,21)/t14-/m0/s1
InChIKeyZPPJEMYMMDUINI-AWEZNQCLSA-N
MW316.47 g/mol
LogP4.17
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 2582039) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID2582039
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1
InChIInChI=1S/C18H24N2OS/c1-6-14(5)19-16(21)10-22-17-9-12(3)15-8-11(2)7-13(4)18(15)20-17/h7-9,14H,6,10H2,1-5H3,(H,19,21)/t14-/m0/s1
InChIKeyZPPJEMYMMDUINI-AWEZNQCLSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 860360
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 4852619
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
diethyl 2-methyl-5-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate
CID 39767306
N-(3-chloro-4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302173

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 2582039) is N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is CC[C@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ZPPJEMYMMDUINI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-6-14(5)19-16(21)10-22-17-9-12(3)15-8-11(2)7-13(4)18(15)20-17/h7-9,14H,6,10H2,1-5H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 316.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).