2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C18H15N3O2S — CID 654954

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1
InChIInChI=1S/C18H15N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
InChIKeyDSWJAENLAWQJFP-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 654954) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID654954
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1
InChIInChI=1S/C18H15N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
InChIKeyDSWJAENLAWQJFP-UHFFFAOYSA-N
XLogP3.42
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 654954) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DSWJAENLAWQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 654954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).