N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide

C21H23N3O2S — CID 47868407

About N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide

N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 47868407) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
• PubChem CID: 47868407
• Molecular Formula: C21H23N3O2S
• Molecular Weight: 381.50 g/mol
• Exact Mass: 381.15
• IUPAC Name: N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
• SMILES: Cc1noc(CSc2ccccc2C(=O)N(C)c2cccc(C(C)C)c2)n1
• InChI: InChI=1S/C21H23N3O2S/c1-14(2)16-8-7-9-17(12-16)24(4)21(25)18-10-5-6-11-19(18)27-13-20-22-15(3)23-26-20/h5-12,14H,13H2,1-4H3
• InChIKey: QKEMOBUVNAOXTG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (CID 47868407) is N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.

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

The canonical SMILES for N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is Cc1noc(CSc2ccccc2C(=O)N(C)c2cccc(C(C)C)c2)n1.

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

The InChIKey is QKEMOBUVNAOXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)16-8-7-9-17(12-16)24(4)21(25)18-10-5-6-11-19(18)27-13-20-22-15(3)23-26-20/h5-12,14H,13H2,1-4H3.

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

N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 47868407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).