2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide

C22H20N4O2S — CID 86918541

IUPAC2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)NCCc2cccc3cccnc23)o1
InChIInChI=1S/C22H20N4O2S/c1-15-6-2-3-10-18(15)21-25-26-22(28-21)29-14-19(27)23-13-11-17-8-4-7-16-9-5-12-24-20(16)17/h2-10,12H,11,13-14H2,1H3,(H,23,27)
InChIKeyQFYFHQXUBKPCCZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.04
Rot. Bonds7

About 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide

2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 86918541) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID86918541
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)NCCc2cccc3cccnc23)o1
InChIInChI=1S/C22H20N4O2S/c1-15-6-2-3-10-18(15)21-25-26-22(28-21)29-14-19(27)23-13-11-17-8-4-7-16-9-5-12-24-20(16)17/h2-10,12H,11,13-14H2,1H3,(H,23,27)
InChIKeyQFYFHQXUBKPCCZ-UHFFFAOYSA-N
XLogP4.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide with MolForge

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Related Compounds

2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86921374
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
2-[(5-chloro-7-methyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86964815
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7629961
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9346197
N-(2,6-dimethylphenyl)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 7683227
N-[2-(2-fluorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405078
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 38833062
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404979
N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide (CID 86918541) is 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide is Cc1ccccc1-c1nnc(SCC(=O)NCCc2cccc3cccnc23)o1.
What is the InChIKey of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is QFYFHQXUBKPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-6-2-3-10-18(15)21-25-26-22(28-21)29-14-19(27)23-13-11-17-8-4-7-16-9-5-12-24-20(16)17/h2-10,12H,11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide?
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 86918541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).