3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H23N3O6S2 — CID 41227747

About 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41227747) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41227747
• Molecular Formula: C21H23N3O6S2
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.10
• IUPAC Name: 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(S(=O)(=O)C(C)C)c3)o2)c1
• InChI: InChI=1S/C21H23N3O6S2/c1-13(2)31(26,27)17-9-5-7-15(11-17)19(25)22-21-24-23-20(30-21)16-8-6-10-18(12-16)32(28,29)14(3)4/h5-14H,1-4H3,(H,22,24,25)
• InChIKey: FWLSBALZMGZVFG-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 136.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41227747) is 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(S(=O)(=O)C(C)C)c3)o2)c1.

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

The InChIKey is FWLSBALZMGZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-13(2)31(26,27)17-9-5-7-15(11-17)19(25)22-21-24-23-20(30-21)16-8-6-10-18(12-16)32(28,29)14(3)4/h5-14H,1-4H3,(H,22,24,25).

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

3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41227747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).