2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H22N2O2S — CID 41084350

IUPAC2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2c(C)cc(SCC(=O)NC[C@@H]3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-5-6-15-13(2)9-18(20-16(15)8-12)23-11-17(21)19-10-14-4-3-7-22-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyZXVQUSOTDQPIJO-AWEZNQCLSA-N
MW330.45 g/mol
LogP3.24
Rot. Bonds5

About 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41084350) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41084350
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2c(C)cc(SCC(=O)NC[C@@H]3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-5-6-15-13(2)9-18(20-16(15)8-12)23-11-17(21)19-10-14-4-3-7-22-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyZXVQUSOTDQPIJO-AWEZNQCLSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2500205
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1450319
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672766
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7183957
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
N-[[(2R)-oxolan-2-yl]methyl]-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7673113
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(2-methylquinazolin-4-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7145707
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4673523

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41084350) is 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc2c(C)cc(SCC(=O)NC[C@@H]3CCCO3)nc2c1.
What is the InChIKey of 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZXVQUSOTDQPIJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-5-6-15-13(2)9-18(20-16(15)8-12)23-11-17(21)19-10-14-4-3-7-22-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41084350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).