N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide

C24H29F3N2O7S — CID 169307699

About N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide

N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide (PubChem CID 169307699) has the molecular formula C24H29F3N2O7S and a molecular weight of 546.56 g/mol. Its IUPAC name is N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide
• PubChem CID: 169307699
• Molecular Formula: C24H29F3N2O7S
• Molecular Weight: 546.56 g/mol
• Exact Mass: 546.16
• IUPAC Name: N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide
• SMILES: CCOc1cc(NC(=O)C(C)C(O)C2CCOCC2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C24H29F3N2O7S/c1-3-35-20-14-17(28-23(31)15(2)22(30)16-9-11-34-12-10-16)7-8-21(20)37(32,33)29-18-5-4-6-19(13-18)36-24(25,26)27/h4-8,13-16,22,29-30H,3,9-12H2,1-2H3,(H,28,31)
• InChIKey: KIYYSADKIGLRJD-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 123.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.56
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide?

The IUPAC name of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide (CID 169307699) is N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide.

What is the SMILES notation for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide?

The canonical SMILES for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide is CCOc1cc(NC(=O)C(C)C(O)C2CCOCC2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.

What is the InChIKey of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide?

The InChIKey is KIYYSADKIGLRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O7S/c1-3-35-20-14-17(28-23(31)15(2)22(30)16-9-11-34-12-10-16)7-8-21(20)37(32,33)29-18-5-4-6-19(13-18)36-24(25,26)27/h4-8,13-16,22,29-30H,3,9-12H2,1-2H3,(H,28,31).

What are the key properties of N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide?

N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide has a molecular weight of 546.56 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-hydroxy-2-methyl-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 169307699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).