ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate

C29H30F3NO5S — CID 58622892

IUPACethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)N(CCC2CC2)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1C
InChIInChI=1S/C29H30F3NO5S/c1-3-37-28(34)19-38-27-14-13-26(17-20(27)2)39(35,36)33(16-15-21-7-8-21)25-6-4-5-23(18-25)22-9-11-24(12-10-22)29(30,31)32/h4-6,9-14,17-18,21H,3,7-8,15-16,19H2,1-2H3
InChIKeyOVFRGVGPEBRVLV-UHFFFAOYSA-N
MW561.62 g/mol
LogP6.62
Rot. Bonds11

About ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate

ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate (PubChem CID 58622892) has the molecular formula C29H30F3NO5S and a molecular weight of 561.62 g/mol. Its IUPAC name is ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate
PubChem CID58622892
Molecular FormulaC29H30F3NO5S
Molecular Weight561.62 g/mol
Exact Mass561.18
IUPAC Nameethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)N(CCC2CC2)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1C
InChIInChI=1S/C29H30F3NO5S/c1-3-37-28(34)19-38-27-14-13-26(17-20(27)2)39(35,36)33(16-15-21-7-8-21)25-6-4-5-23(18-25)22-9-11-24(12-10-22)29(30,31)32/h4-6,9-14,17-18,21H,3,7-8,15-16,19H2,1-2H3
InChIKeyOVFRGVGPEBRVLV-UHFFFAOYSA-N
XLogP6.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.62
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[N-(2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetic acid
CID 18448360
ethyl 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfonyl]phenoxy]acetate
CID 69473230
2-[4-[butyl-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate
CID 18448377
ethyl 2-[2-methyl-4-[[3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]sulfonyl]phenoxy]acetate
CID 58639145
2-[4-[[N-butanoyl-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetic acid
CID 18448320
ethyl 2-[N-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100543118
ethyl 2-[4-[4-(trifluoromethyl)phenyl]sulfonyloxycyclohexyl]acetate
CID 86762206
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211
ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate
CID 54433523
ethyl 2-[2-methyl-4-[3-methyl-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]butoxy]phenoxy]acetate
CID 58629882
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
ethyl 2-[4-[C-(cyclohexylmethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
CID 74370473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate (CID 58622892) is ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)N(CCC2CC2)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1C.
What is the InChIKey of ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is OVFRGVGPEBRVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3NO5S/c1-3-37-28(34)19-38-27-14-13-26(17-20(27)2)39(35,36)33(16-15-21-7-8-21)25-6-4-5-23(18-25)22-9-11-24(12-10-22)29(30,31)32/h4-6,9-14,17-18,21H,3,7-8,15-16,19H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate?
ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate has a molecular weight of 561.62 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-cyclopropylethyl-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 58622892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).