2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide

C18H21ClF3NO3S — CID 70509521

IUPAC2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)OC1(CC)CC=C(Oc2ccc(C(F)(F)F)cc2Cl)S1
InChIInChI=1S/C18H21ClF3NO3S/c1-4-17(26-11(3)16(24)23-5-2)9-8-15(27-17)25-14-7-6-12(10-13(14)19)18(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyDXUUXIPJHZNGLV-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.36
Rot. Bonds7

About 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide

2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide (PubChem CID 70509521) has the molecular formula C18H21ClF3NO3S and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide
PubChem CID70509521
Molecular FormulaC18H21ClF3NO3S
Molecular Weight423.88 g/mol
Exact Mass423.09
IUPAC Name2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)OC1(CC)CC=C(Oc2ccc(C(F)(F)F)cc2Cl)S1
InChIInChI=1S/C18H21ClF3NO3S/c1-4-17(26-11(3)16(24)23-5-2)9-8-15(27-17)25-14-7-6-12(10-13(14)19)18(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyDXUUXIPJHZNGLV-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 72003345
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N,N-diethylpropanamide
CID 13094100
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-methoxyethyl)propanamide
CID 19020225
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]-N-propylpropanamide
CID 20462821
2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methoxymethyl)propanamide
CID 20478850
2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 20559815
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-N-(2-phenoxyethyl)propanamide
CID 53655746
2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]sulfanyl-N-(2-methoxyethyl)propanamide
CID 54116908
2-[2-[4-[2-Chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoylamino]ethylphosphonic acid
CID 57286875
2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methyl-3H-thiophen-2-yl]oxy]-N-propylpropanamide
CID 70510562
2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methyl-3H-thiophen-2-yl]oxy]-N-hexylpropanamide
CID 70511179
2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methyl-3H-thiophen-2-yl]oxy]-N,N-dihexylpropanamide
CID 70511218

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide?
The IUPAC name of 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide (CID 70509521) is 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide?
The canonical SMILES for 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide is CCNC(=O)C(C)OC1(CC)CC=C(Oc2ccc(C(F)(F)F)cc2Cl)S1.
What is the InChIKey of 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide?
The InChIKey is DXUUXIPJHZNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3NO3S/c1-4-17(26-11(3)16(24)23-5-2)9-8-15(27-17)25-14-7-6-12(10-13(14)19)18(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24).
What are the key properties of 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide?
2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide has a molecular weight of 423.88 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethyl-3H-thiophen-2-yl]oxy]-N-ethylpropanamide is sourced from PubChem (CID 70509521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).