N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide

C17H16N2O2S — CID 647562

IUPACN-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide
SMILESCc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C17H16N2O2S/c1-12-7-8-13-4-2-6-15(17(13)19-12)22-11-16(20)18-10-14-5-3-9-21-14/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyAELNMYQLBYUTJO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide (PubChem CID 647562) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide
PubChem CID647562
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide
SMILESCc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C17H16N2O2S/c1-12-7-8-13-4-2-6-15(17(13)19-12)22-11-16(20)18-10-14-5-3-9-21-14/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyAELNMYQLBYUTJO-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2-furylmethyl)acetamide
CID 672043
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2259442
N-(furan-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862194
N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 566063
2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647243
2-(3-Ethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647971
2-(3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651442
2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamide
CID 653760

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide (CID 647562) is N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide is Cc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide?
The InChIKey is AELNMYQLBYUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-7-8-13-4-2-6-15(17(13)19-12)22-11-16(20)18-10-14-5-3-9-21-14/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide has a molecular weight of 312.39 g/mol, XLogP of 3.54, 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-(2-methylquinolin-8-yl)sulfanylacetamide is sourced from PubChem (CID 647562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).