2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

C19H19N3O3S — CID 2500137

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12
InChIInChI=1S/C19H19N3O3S/c1-12-5-3-7-15-13(2)9-17(22-18(12)15)26-11-16(23)21-19(24)20-10-14-6-4-8-25-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23,24)
InChIKeyRPDBDTFVNNJRRO-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.56
Rot. Bonds5

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2500137) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2500137
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12
InChIInChI=1S/C19H19N3O3S/c1-12-5-3-7-15-13(2)9-17(22-18(12)15)26-11-16(23)21-19(24)20-10-14-6-4-8-25-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23,24)
InChIKeyRPDBDTFVNNJRRO-UHFFFAOYSA-N
XLogP3.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2500137) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is RPDBDTFVNNJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-5-3-7-15-13(2)9-17(22-18(12)15)26-11-16(23)21-19(24)20-10-14-6-4-8-25-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2500137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).