N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide

C27H23N5O3S2 — CID 67158470

About N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67158470) has the molecular formula C27H23N5O3S2 and a molecular weight of 529.65 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
• PubChem CID: 67158470
• Molecular Formula: C27H23N5O3S2
• Molecular Weight: 529.65 g/mol
• Exact Mass: 529.12
• IUPAC Name: N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
• SMILES: CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3cccs3)[nH]nc2s1)c1ccccc1
• InChI: InChI=1S/C27H23N5O3S2/c1-27(2,16-9-4-3-5-10-16)30-25(35)21-15-18-22(31-32-26(18)37-21)29-23(33)17-11-6-7-12-19(17)28-24(34)20-13-8-14-36-20/h3-15H,1-2H3,(H,28,34)(H,30,35)(H2,29,31,32,33)
• InChIKey: YTMGMBGEMOTWDW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 115.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.65
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The IUPAC name of N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67158470) is N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

What is the SMILES notation for N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The canonical SMILES for N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3cccs3)[nH]nc2s1)c1ccccc1.

What is the InChIKey of N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The InChIKey is YTMGMBGEMOTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S2/c1-27(2,16-9-4-3-5-10-16)30-25(35)21-15-18-22(31-32-26(18)37-21)29-23(33)17-11-6-7-12-19(17)28-24(34)20-13-8-14-36-20/h3-15H,1-2H3,(H,28,34)(H,30,35)(H2,29,31,32,33).

What are the key properties of N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?

N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 529.65 g/mol, XLogP of 5.86, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67158470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).