ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate

C32H32F3N3O6S — CID 69439569

About ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate

ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate (PubChem CID 69439569) has the molecular formula C32H32F3N3O6S and a molecular weight of 643.68 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate
• PubChem CID: 69439569
• Molecular Formula: C32H32F3N3O6S
• Molecular Weight: 643.68 g/mol
• Exact Mass: 643.20
• IUPAC Name: ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate
• SMILES: CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)S(=O)(=O)N1CCc2ccccc21
• InChI: InChI=1S/C32H32F3N3O6S/c1-3-42-30(39)21-37(45(40,41)38-17-15-24-8-4-5-10-29(24)38)20-23-7-6-9-27(19-23)43-18-16-28-22(2)44-31(36-28)25-11-13-26(14-12-25)32(33,34)35/h4-14,19H,3,15-18,20-21H2,1-2H3
• InChIKey: NURWYFIKBWENMX-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 102.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.68
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate?

The IUPAC name of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate (CID 69439569) is ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate.

What is the SMILES notation for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate?

The canonical SMILES for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)S(=O)(=O)N1CCc2ccccc21.

What is the InChIKey of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate?

The InChIKey is NURWYFIKBWENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O6S/c1-3-42-30(39)21-37(45(40,41)38-17-15-24-8-4-5-10-29(24)38)20-23-7-6-9-27(19-23)43-18-16-28-22(2)44-31(36-28)25-11-13-26(14-12-25)32(33,34)35/h4-14,19H,3,15-18,20-21H2,1-2H3.

What are the key properties of ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate?

ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate has a molecular weight of 643.68 g/mol, XLogP of 5.96, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2,3-dihydroindol-1-ylsulfonyl-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 69439569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).