2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid

C29H28F3N3O6S — CID 11614149

About 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid

2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid (PubChem CID 11614149) has the molecular formula C29H28F3N3O6S and a molecular weight of 603.62 g/mol. Its IUPAC name is 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
• PubChem CID: 11614149
• Molecular Formula: C29H28F3N3O6S
• Molecular Weight: 603.62 g/mol
• Exact Mass: 603.17
• IUPAC Name: 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cccc(CN(CC(=O)O)S(=O)(=O)N(C)c2ccccc2)c1
• InChI: InChI=1S/C29H28F3N3O6S/c1-20-26(33-28(41-20)22-11-13-23(14-12-22)29(30,31)32)15-16-40-25-10-6-7-21(17-25)18-35(19-27(36)37)42(38,39)34(2)24-8-4-3-5-9-24/h3-14,17H,15-16,18-19H2,1-2H3,(H,36,37)
• InChIKey: UXMMHCYLXGMHQC-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 113.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.62
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid?

The IUPAC name of 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid (CID 11614149) is 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid.

What is the SMILES notation for 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid?

The canonical SMILES for 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cccc(CN(CC(=O)O)S(=O)(=O)N(C)c2ccccc2)c1.

What is the InChIKey of 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid?

The InChIKey is UXMMHCYLXGMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O6S/c1-20-26(33-28(41-20)22-11-13-23(14-12-22)29(30,31)32)15-16-40-25-10-6-7-21(17-25)18-35(19-27(36)37)42(38,39)34(2)24-8-4-3-5-9-24/h3-14,17H,15-16,18-19H2,1-2H3,(H,36,37).

What are the key properties of 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid?

2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 603.62 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[methyl(phenyl)sulfamoyl]-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 11614149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).