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

C21H23N3O4S — CID 55534980

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

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55534980) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
• PubChem CID: 55534980
• Molecular Formula: C21H23N3O4S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.14
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
• SMILES: COc1ccc(CN(C)C(=O)c2ccccc2SCc2nc(C)no2)c(OC)c1
• InChI: InChI=1S/C21H23N3O4S/c1-14-22-20(28-23-14)13-29-19-8-6-5-7-17(19)21(25)24(2)12-15-9-10-16(26-3)11-18(15)27-4/h5-11H,12-13H2,1-4H3
• InChIKey: OKSILMZSHUOTRQ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 77.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 55534980) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is COc1ccc(CN(C)C(=O)c2ccccc2SCc2nc(C)no2)c(OC)c1.

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

The InChIKey is OKSILMZSHUOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-22-20(28-23-14)13-29-19-8-6-5-7-17(19)21(25)24(2)12-15-9-10-16(26-3)11-18(15)27-4/h5-11H,12-13H2,1-4H3.

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

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55534980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).