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

C19H19N3O2S — CID 656184

IUPACN-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C19H19N3O2S/c1-12-8-6-10-16(14(12)3)20-17(23)11-25-19-22-21-18(24-19)15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyQOGJRRYNWWRWDA-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.39
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 656184) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID656184
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C19H19N3O2S/c1-12-8-6-10-16(14(12)3)20-17(23)11-25-19-22-21-18(24-19)15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyQOGJRRYNWWRWDA-UHFFFAOYSA-N
XLogP4.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 656184) is N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QOGJRRYNWWRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-8-6-10-16(14(12)3)20-17(23)11-25-19-22-21-18(24-19)15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 656184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).