3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C24H20N6O5S2 — CID 25038151

About 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25038151) has the molecular formula C24H20N6O5S2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
• PubChem CID: 25038151
• Molecular Formula: C24H20N6O5S2
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.09
• IUPAC Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
• SMILES: O=C(CCSc1nc(-c2ccco2)c(-c2ccco2)[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
• InChI: InChI=1S/C24H20N6O5S2/c31-20(27-16-6-8-17(9-7-16)37(32,33)30-23-25-11-3-12-26-23)10-15-36-24-28-21(18-4-1-13-34-18)22(29-24)19-5-2-14-35-19/h1-9,11-14H,10,15H2,(H,27,31)(H,28,29)(H,25,26,30)
• InChIKey: QYBGGMRTIWVKLC-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 156.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?

The IUPAC name of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 25038151) is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

What is the SMILES notation for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?

The canonical SMILES for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is O=C(CCSc1nc(-c2ccco2)c(-c2ccco2)[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.

What is the InChIKey of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?

The InChIKey is QYBGGMRTIWVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O5S2/c31-20(27-16-6-8-17(9-7-16)37(32,33)30-23-25-11-3-12-26-23)10-15-36-24-28-21(18-4-1-13-34-18)22(29-24)19-5-2-14-35-19/h1-9,11-14H,10,15H2,(H,27,31)(H,28,29)(H,25,26,30).

What are the key properties of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 536.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).