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

C18H17N3O2S2 — CID 3164834

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H17N3O2S2/c1-24-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(23-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyAMANKYHJTKZXHF-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.11
Rot. Bonds7

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 3164834) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID3164834
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H17N3O2S2/c1-24-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(23-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyAMANKYHJTKZXHF-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (CID 3164834) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is AMANKYHJTKZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-24-15-10-6-5-9-14(15)19-16(22)12-25-18-21-20-17(23-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 371.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 3164834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).