2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C32H32N6O3S2 — CID 25036402

About 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25036402) has the molecular formula C32H32N6O3S2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
• PubChem CID: 25036402
• Molecular Formula: C32H32N6O3S2
• Molecular Weight: 612.78 g/mol
• Exact Mass: 612.20
• IUPAC Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
• SMILES: Cc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]c2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C32H32N6O3S2/c1-19-6-10-24(11-7-19)28-29(25-12-8-20(2)9-13-25)37-32(36-28)42-23(5)30(39)35-26-14-16-27(17-15-26)43(40,41)38-31-33-21(3)18-22(4)34-31/h6-18,23H,1-5H3,(H,35,39)(H,36,37)(H,33,34,38)
• InChIKey: MJIONRIIVJBRNZ-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 129.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.78
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?

The IUPAC name of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 25036402) is 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

What is the SMILES notation for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?

The canonical SMILES for 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?

The InChIKey is MJIONRIIVJBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3S2/c1-19-6-10-24(11-7-19)28-29(25-12-8-20(2)9-13-25)37-32(36-28)42-23(5)30(39)35-26-14-16-27(17-15-26)43(40,41)38-31-33-21(3)18-22(4)34-31/h6-18,23H,1-5H3,(H,35,39)(H,36,37)(H,33,34,38).

What are the key properties of 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 612.78 g/mol, XLogP of 6.69, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25036402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).