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

C32H31N5O5S2 — CID 25043711

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

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 25043711) has the molecular formula C32H31N5O5S2 and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

• Compound Name: 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
• PubChem CID: 25043711
• Molecular Formula: C32H31N5O5S2
• Molecular Weight: 629.76 g/mol
• Exact Mass: 629.18
• IUPAC Name: 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
• SMILES: CCC(Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
• InChI: InChI=1S/C32H31N5O5S2/c1-4-27(31(38)34-23-12-18-26(19-13-23)44(39,40)37-28-7-5-6-20-33-28)43-32-35-29(21-8-14-24(41-2)15-9-21)30(36-32)22-10-16-25(42-3)17-11-22/h5-20,27H,4H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
• InChIKey: YMHOKPQXXQETCE-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.76
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 25043711) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

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

The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCC(Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.

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

The InChIKey is YMHOKPQXXQETCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O5S2/c1-4-27(31(38)34-23-12-18-26(19-13-23)44(39,40)37-28-7-5-6-20-33-28)43-32-35-29(21-8-14-24(41-2)15-9-21)30(36-32)22-10-16-25(42-3)17-11-22/h5-20,27H,4H2,1-3H3,(H,33,37)(H,34,38)(H,35,36).

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

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 629.76 g/mol, XLogP of 6.47, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 25043711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).