2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C31H29N5O3S2 — CID 25045818

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

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25045818) has the molecular formula C31H29N5O3S2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
• PubChem CID: 25045818
• Molecular Formula: C31H29N5O3S2
• Molecular Weight: 583.74 g/mol
• Exact Mass: 583.17
• IUPAC Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
• SMILES: Cc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[nH]c2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C31H29N5O3S2/c1-20-7-11-23(12-8-20)28-29(24-13-9-21(2)10-14-24)35-31(34-28)40-22(3)30(37)33-25-15-17-26(18-16-25)41(38,39)36-27-6-4-5-19-32-27/h4-19,22H,1-3H3,(H,32,36)(H,33,37)(H,34,35)
• InChIKey: RSLZEONFCADEKD-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.74
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 25045818) is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

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

The canonical SMILES for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is Cc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[nH]c2-c2ccc(C)cc2)cc1.

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

The InChIKey is RSLZEONFCADEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3S2/c1-20-7-11-23(12-8-20)28-29(24-13-9-21(2)10-14-24)35-31(34-28)40-22(3)30(37)33-25-15-17-26(18-16-25)41(38,39)36-27-6-4-5-19-32-27/h4-19,22H,1-3H3,(H,32,36)(H,33,37)(H,34,35).

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

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 583.74 g/mol, XLogP of 6.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25045818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).