N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C22H19N3O2S2 — CID 35795719

About N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 35795719) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 35795719
• Molecular Formula: C22H19N3O2S2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.09
• IUPAC Name: N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: CN(C(=O)CSc1nnc(-c2cccs2)o1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H19N3O2S2/c1-25(20(16-9-4-2-5-10-16)17-11-6-3-7-12-17)19(26)15-29-22-24-23-21(27-22)18-13-8-14-28-18/h2-14,20H,15H2,1H3
• InChIKey: JIANGVAWYRVFGZ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 35795719) is N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CN(C(=O)CSc1nnc(-c2cccs2)o1)C(c1ccccc1)c1ccccc1.

What is the InChIKey of N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is JIANGVAWYRVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-25(20(16-9-4-2-5-10-16)17-11-6-3-7-12-17)19(26)15-29-22-24-23-21(27-22)18-13-8-14-28-18/h2-14,20H,15H2,1H3.

What are the key properties of N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 421.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 35795719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).