N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide

C25H25N3OS — CID 122264717

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 122264717) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 122264717
• Molecular Formula: C25H25N3OS
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.17
• IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1cc(C)n(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)n1
• InChI: InChI=1S/C25H25N3OS/c1-18-15-19(2)28(27-18)23(24-9-6-14-30-24)17-26-25(29)16-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-15,23H,16-17H2,1-2H3,(H,26,29)
• InChIKey: JAJSGRWVXLRDPU-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide (CID 122264717) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide is Cc1cc(C)n(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)n1.

What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide?

The InChIKey is JAJSGRWVXLRDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-18-15-19(2)28(27-18)23(24-9-6-14-30-24)17-26-25(29)16-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-15,23H,16-17H2,1-2H3,(H,26,29).

What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide?

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 122264717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).