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

C22H18BrN3O3S — CID 17478170

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

N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 17478170) has the molecular formula C22H18BrN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 17478170
• Molecular Formula: C22H18BrN3O3S
• Molecular Weight: 484.38 g/mol
• Exact Mass: 483.03
• IUPAC Name: N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: O=C(CSc1nnc(-c2ccccc2Br)o1)N(Cc1ccccc1)Cc1ccco1
• InChI: InChI=1S/C22H18BrN3O3S/c23-19-11-5-4-10-18(19)21-24-25-22(29-21)30-15-20(27)26(14-17-9-6-12-28-17)13-16-7-2-1-3-8-16/h1-12H,13-15H2
• InChIKey: XEDHNWGNPUIWNX-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 72.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.38
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 17478170) is N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nnc(-c2ccccc2Br)o1)N(Cc1ccccc1)Cc1ccco1.

What is the InChIKey of N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is XEDHNWGNPUIWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3S/c23-19-11-5-4-10-18(19)21-24-25-22(29-21)30-15-20(27)26(14-17-9-6-12-28-17)13-16-7-2-1-3-8-16/h1-12H,13-15H2.

What are the key properties of N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?

N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 484.38 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 17478170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).