N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide

C26H25N3O2S — CID 3381077

About N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide

N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide (PubChem CID 3381077) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
• PubChem CID: 3381077
• Molecular Formula: C26H25N3O2S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.17
• IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
• SMILES: Cc1ccc(Cc2nsc(Oc3ccc(CC(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1
• InChI: InChI=1S/C26H25N3O2S/c1-17-4-7-20(8-5-17)15-24-28-26(32-29-24)31-23-12-9-21(10-13-23)16-25(30)27-22-11-6-18(2)19(3)14-22/h4-14H,15-16H2,1-3H3,(H,27,30)
• InChIKey: UGHZIVAIMPWQPT-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide?

The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide (CID 3381077) is N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide is Cc1ccc(Cc2nsc(Oc3ccc(CC(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1.

What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide?

The InChIKey is UGHZIVAIMPWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-17-4-7-20(8-5-17)15-24-28-26(32-29-24)31-23-12-9-21(10-13-23)16-25(30)27-22-11-6-18(2)19(3)14-22/h4-14H,15-16H2,1-3H3,(H,27,30).

What are the key properties of N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide?

N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide has a molecular weight of 443.57 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 3381077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).