N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

C26H26N4O2S — CID 1060886

About N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 1060886) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
• PubChem CID: 1060886
• Molecular Formula: C26H26N4O2S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
• SMILES: Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(C(=O)c2cccs2)C(C)C)cc1
• InChI: InChI=1S/C26H26N4O2S/c1-18(2)29(26(32)23-10-7-15-33-23)17-25(31)27-24-16-22(20-8-5-4-6-9-20)28-30(24)21-13-11-19(3)12-14-21/h4-16,18H,17H2,1-3H3,(H,27,31)
• InChIKey: GIRNILNVCKBJRM-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (CID 1060886) is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(C(=O)c2cccs2)C(C)C)cc1.

What is the InChIKey of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The InChIKey is GIRNILNVCKBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(2)29(26(32)23-10-7-15-33-23)17-25(31)27-24-16-22(20-8-5-4-6-9-20)28-30(24)21-13-11-19(3)12-14-21/h4-16,18H,17H2,1-3H3,(H,27,31).

What are the key properties of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 1060886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).