N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide

C19H20N2O2S — CID 857007

IUPACN-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C
InChIInChI=1S/C19H20N2O2S/c1-12-7-15-8-14(3)19(21-17(15)9-13(12)2)24-11-18(22)20-10-16-5-4-6-23-16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNCEHYJDQRHAKDJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.16
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 857007) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID857007
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C
InChIInChI=1S/C19H20N2O2S/c1-12-7-15-8-14(3)19(21-17(15)9-13(12)2)24-11-18(22)20-10-16-5-4-6-23-16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNCEHYJDQRHAKDJ-UHFFFAOYSA-N
XLogP4.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide (CID 857007) is N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is NCEHYJDQRHAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-7-15-8-14(3)19(21-17(15)9-13(12)2)24-11-18(22)20-10-16-5-4-6-23-16/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 340.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 857007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).