ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate

C25H28F3N3O6S — CID 69361123

IUPACethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)S(=O)(=O)N(C)C
InChIInChI=1S/C25H28F3N3O6S/c1-5-35-23(32)15-31(38(33,34)30(3)4)14-18-7-6-8-21(13-18)36-16-22-17(2)37-24(29-22)19-9-11-20(12-10-19)25(26,27)28/h6-13H,5,14-16H2,1-4H3
InChIKeyGKFUYUKJNNOEPT-UHFFFAOYSA-N
MW555.58 g/mol
LogP4.42
Rot. Bonds11

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

ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate (PubChem CID 69361123) has the molecular formula C25H28F3N3O6S and a molecular weight of 555.58 g/mol. Its IUPAC name is ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate
PubChem CID69361123
Molecular FormulaC25H28F3N3O6S
Molecular Weight555.58 g/mol
Exact Mass555.17
IUPAC Nameethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)S(=O)(=O)N(C)C
InChIInChI=1S/C25H28F3N3O6S/c1-5-35-23(32)15-31(38(33,34)30(3)4)14-18-7-6-8-21(13-18)36-16-22-17(2)37-24(29-22)19-9-11-20(12-10-19)25(26,27)28/h6-13H,5,14-16H2,1-4H3
InChIKeyGKFUYUKJNNOEPT-UHFFFAOYSA-N
XLogP4.42
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate with MolForge

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Related Compounds

2-[dimethylsulfamoyl-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11504651
ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 69361063
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
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
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
ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
CID 69361787
2-[[methyl(phenyl)sulfamoyl]-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11505256
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate
CID 69171180
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(methylsulfamoyl)amino]acetic acid
CID 91438051
2-[[(4-chlorophenyl)-methylsulfamoyl]-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11657392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate (CID 69361123) is ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)S(=O)(=O)N(C)C.
What is the InChIKey of ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate?
The InChIKey is GKFUYUKJNNOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O6S/c1-5-35-23(32)15-31(38(33,34)30(3)4)14-18-7-6-8-21(13-18)36-16-22-17(2)37-24(29-22)19-9-11-20(12-10-19)25(26,27)28/h6-13H,5,14-16H2,1-4H3.
What are the key properties of ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate?
ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate has a molecular weight of 555.58 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 69361123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).