N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C20H16N4O2S — CID 86573495

IUPACN-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C20H16N4O2S/c1-13-4-7-16(8-5-13)22-18(25)12-27-20-24-23-19(26-20)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyQVZQHUHQGIQNMR-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.32
Rot. Bonds5

About N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 86573495) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID86573495
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C20H16N4O2S/c1-13-4-7-16(8-5-13)22-18(25)12-27-20-24-23-19(26-20)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyQVZQHUHQGIQNMR-UHFFFAOYSA-N
XLogP4.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162164
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 56734777
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503
N-methyl-4-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 8581982
N-(3-iodophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112782883
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 172643805
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3386877
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-nitrophenyl)phenyl]acetamide
CID 3311376

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 86573495) is N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(-c3ccc4ncccc4c3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QVZQHUHQGIQNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-4-7-16(8-5-13)22-18(25)12-27-20-24-23-19(26-20)15-6-9-17-14(11-15)3-2-10-21-17/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 86573495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).