N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

C23H22N4O3S2 — CID 17478774

About N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 17478774) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
• PubChem CID: 17478774
• Molecular Formula: C23H22N4O3S2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.11
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
• SMILES: COc1ccc(C)cc1NC(=O)C(Sc1nnc(Cc2csc(C)n2)o1)c1ccccc1
• InChI: InChI=1S/C23H22N4O3S2/c1-14-9-10-19(29-3)18(11-14)25-22(28)21(16-7-5-4-6-8-16)32-23-27-26-20(30-23)12-17-13-31-15(2)24-17/h4-11,13,21H,12H2,1-3H3,(H,25,28)
• InChIKey: XZWFEZFUHGBKQS-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (CID 17478774) is N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is COc1ccc(C)cc1NC(=O)C(Sc1nnc(Cc2csc(C)n2)o1)c1ccccc1.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The InChIKey is XZWFEZFUHGBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-14-9-10-19(29-3)18(11-14)25-22(28)21(16-7-5-4-6-8-16)32-23-27-26-20(30-23)12-17-13-31-15(2)24-17/h4-11,13,21H,12H2,1-3H3,(H,25,28).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 466.59 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 17478774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).