3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide

C24H21N3O3S — CID 5193138

About 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide (PubChem CID 5193138) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide.

Molecular Properties

• Compound Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide
• PubChem CID: 5193138
• Molecular Formula: C24H21N3O3S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.13
• IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(C)cc2)cc1Oc1nc(Cc2ccccc2)ns1
• InChI: InChI=1S/C24H21N3O3S/c1-16-8-11-19(12-9-16)25-23(28)18-10-13-20(29-2)21(15-18)30-24-26-22(27-31-24)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,25,28)
• InChIKey: NDXULXXFEKMMGV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide?

The IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide (CID 5193138) is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide.

What is the SMILES notation for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide?

The canonical SMILES for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(C)cc2)cc1Oc1nc(Cc2ccccc2)ns1.

What is the InChIKey of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide?

The InChIKey is NDXULXXFEKMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-8-11-19(12-9-16)25-23(28)18-10-13-20(29-2)21(15-18)30-24-26-22(27-31-24)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,25,28).

What are the key properties of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide?

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 5193138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).