1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C25H30F2N4O6S — CID 166512794

About 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 166512794) has the molecular formula C25H30F2N4O6S and a molecular weight of 552.60 g/mol. Its IUPAC name is 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• PubChem CID: 166512794
• Molecular Formula: C25H30F2N4O6S
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.19
• IUPAC Name: 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• SMILES: CC(=O)NS(=O)(=O)CCC(=O)N1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1
• InChI: InChI=1S/C25H30F2N4O6S/c1-15(2)18-7-5-6-8-19(18)25(13-31(14-25)21(33)11-12-38(35,36)30-17(4)32)23(34)29-20-10-9-16(3)28-22(20)37-24(26)27/h5-10,15,24H,11-14H2,1-4H3,(H,29,34)(H,30,32)
• InChIKey: PECBGJGOCSRRKP-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 134.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.60
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The IUPAC name of 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 166512794) is 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

What is the SMILES notation for 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The canonical SMILES for 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is CC(=O)NS(=O)(=O)CCC(=O)N1CC(C(=O)Nc2ccc(C)nc2OC(F)F)(c2ccccc2C(C)C)C1.

What is the InChIKey of 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The InChIKey is PECBGJGOCSRRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O6S/c1-15(2)18-7-5-6-8-19(18)25(13-31(14-25)21(33)11-12-38(35,36)30-17(4)32)23(34)29-20-10-9-16(3)28-22(20)37-24(26)27/h5-10,15,24H,11-14H2,1-4H3,(H,29,34)(H,30,32).

What are the key properties of 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 552.60 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(acetylsulfamoyl)propanoyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 166512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).