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

C20H21N3O4S — CID 43974889

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

2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43974889) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
• PubChem CID: 43974889
• Molecular Formula: C20H21N3O4S
• Molecular Weight: 399.47 g/mol
• Exact Mass: 399.13
• IUPAC Name: 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
• SMILES: CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)Cc3ccccc3)o2)cc1
• InChI: InChI=1S/C20H21N3O4S/c1-14(2)28(25,26)17-10-8-16(9-11-17)13-19-22-23-20(27-19)21-18(24)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,23,24)
• InChIKey: QAWCGFZSBGAAPU-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 102.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.47
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43974889) is 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)Cc3ccccc3)o2)cc1.

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

The InChIKey is QAWCGFZSBGAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(2)28(25,26)17-10-8-16(9-11-17)13-19-22-23-20(27-19)21-18(24)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,23,24).

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

2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43974889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).