N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide

C26H21N5O3S — CID 74783631

About N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide

N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 74783631) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 74783631
• Molecular Formula: C26H21N5O3S
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.14
• IUPAC Name: N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
• SMILES: O=C1CC(c2ccccc2)NC(n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)N1
• InChI: InChI=1S/C26H21N5O3S/c32-24-15-18(16-7-2-1-3-8-16)27-26(29-24)31-23(14-19(30-31)22-11-6-12-35-22)28-25(33)21-13-17-9-4-5-10-20(17)34-21/h1-14,18,26-27H,15H2,(H,28,33)(H,29,32)
• InChIKey: AFKNNGUGSYBPHB-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 101.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide (CID 74783631) is N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide is O=C1CC(c2ccccc2)NC(n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)N1.

What is the InChIKey of N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide?

The InChIKey is AFKNNGUGSYBPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c32-24-15-18(16-7-2-1-3-8-16)27-26(29-24)31-23(14-19(30-31)22-11-6-12-35-22)28-25(33)21-13-17-9-4-5-10-20(17)34-21/h1-14,18,26-27H,15H2,(H,28,33)(H,29,32).

What are the key properties of N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide?

N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 74783631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).