N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C22H20N4O5S2 — CID 55700394

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 55700394) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• PubChem CID: 55700394
• Molecular Formula: C22H20N4O5S2
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.09
• IUPAC Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)no1
• InChI: InChI=1S/C22H20N4O5S2/c1-15-23-22(25-31-15)18-6-3-4-7-19(18)24-20(27)14-30-17-11-9-16(10-12-17)26(2)33(28,29)21-8-5-13-32-21/h3-13H,14H2,1-2H3,(H,24,27)
• InChIKey: ZCJANBXXIZXAAS-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 55700394) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

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

The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is Cc1nc(-c2ccccc2NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)no1.

What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The InChIKey is ZCJANBXXIZXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S2/c1-15-23-22(25-31-15)18-6-3-4-7-19(18)24-20(27)14-30-17-11-9-16(10-12-17)26(2)33(28,29)21-8-5-13-32-21/h3-13H,14H2,1-2H3,(H,24,27).

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 484.56 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 55700394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).