N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

C29H32N4O3S — CID 3348155

About N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide

N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (PubChem CID 3348155) has the molecular formula C29H32N4O3S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
• PubChem CID: 3348155
• Molecular Formula: C29H32N4O3S
• Molecular Weight: 516.67 g/mol
• Exact Mass: 516.22
• IUPAC Name: N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
• SMILES: CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1C)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C29H32N4O3S/c1-5-19-32(37(35,36)25-17-15-21(2)16-18-25)20-27(34)30-29-28(24-12-7-6-8-13-24)23(4)31-33(29)26-14-10-9-11-22(26)3/h6-18H,5,19-20H2,1-4H3,(H,30,34)
• InChIKey: WCEPDIPHSKMGME-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?

The IUPAC name of N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide (CID 3348155) is N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide.

What is the SMILES notation for N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?

The canonical SMILES for N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1C)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?

The InChIKey is WCEPDIPHSKMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3S/c1-5-19-32(37(35,36)25-17-15-21(2)16-18-25)20-27(34)30-29-28(24-12-7-6-8-13-24)23(4)31-33(29)26-14-10-9-11-22(26)3/h6-18H,5,19-20H2,1-4H3,(H,30,34).

What are the key properties of N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide?

N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide has a molecular weight of 516.67 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 3348155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).