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

C19H19N3O2S2 — CID 7629961

IUPAC2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)NCCSc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S2/c1-14-7-5-6-10-16(14)18-21-22-19(24-18)26-13-17(23)20-11-12-25-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyZTIKDTFBTISPIK-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.05
Rot. Bonds8

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

2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 7629961) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID7629961
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)NCCSc2ccccc2)o1
InChIInChI=1S/C19H19N3O2S2/c1-14-7-5-6-10-16(14)18-21-22-19(24-18)26-13-17(23)20-11-12-25-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyZTIKDTFBTISPIK-UHFFFAOYSA-N
XLogP4.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
N-(2,6-dimethylphenyl)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 7683227
dimethyl-[(1R)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]azanium
CID 7418203
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9346197
N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86918541
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 17435872
methyl 4-[[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate
CID 7418287
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600871
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683217
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-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide (CID 7629961) is 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide is Cc1ccccc1-c1nnc(SCC(=O)NCCSc2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is ZTIKDTFBTISPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-14-7-5-6-10-16(14)18-21-22-19(24-18)26-13-17(23)20-11-12-25-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 4.05, 8 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-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 7629961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).