2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C21H23N3O5S — CID 43975016

About 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43975016) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
• PubChem CID: 43975016
• Molecular Formula: C21H23N3O5S
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.14
• IUPAC Name: 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
• SMILES: COc1cccc(CC(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)c1
• InChI: InChI=1S/C21H23N3O5S/c1-14(2)30(26,27)18-9-7-15(8-10-18)13-20-23-24-21(29-20)22-19(25)12-16-5-4-6-17(11-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,24,25)
• InChIKey: KIGXUOHSXDZCAO-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 111.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?

The IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43975016) is 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?

The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)c1.

What is the InChIKey of 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?

The InChIKey is KIGXUOHSXDZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(2)30(26,27)18-9-7-15(8-10-18)13-20-23-24-21(29-20)22-19(25)12-16-5-4-6-17(11-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,24,25).

What are the key properties of 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?

2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43975016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).