2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H17N3O2S — CID 24792500

IUPAC2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-5-14-13(6-10)7-11(2)17(18-14)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyWRPXVEUMMWHIFW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.88
Rot. Bonds4

About 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24792500) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24792500
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-5-14-13(6-10)7-11(2)17(18-14)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyWRPXVEUMMWHIFW-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24792500) is 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1.
What is the InChIKey of 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WRPXVEUMMWHIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-4-5-14-13(6-10)7-11(2)17(18-14)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24792500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).