4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C21H18F3NO2S — CID 19483492

IUPAC4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1
InChIInChI=1S/C21H18F3NO2S/c1-13-6-7-18(14(2)8-13)27-11-15-9-19(28-12-15)20(26)25-17-5-3-4-16(10-17)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,26)
InChIKeyWXOPMTPURIHLKS-UHFFFAOYSA-N
MW405.44 g/mol
LogP6.22
Rot. Bonds5

About 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19483492) has the molecular formula C21H18F3NO2S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID19483492
Molecular FormulaC21H18F3NO2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1
InChIInChI=1S/C21H18F3NO2S/c1-13-6-7-18(14(2)8-13)27-11-15-9-19(28-12-15)20(26)25-17-5-3-4-16(10-17)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,26)
InChIKeyWXOPMTPURIHLKS-UHFFFAOYSA-N
XLogP6.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19483649
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 19483492) is 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is WXOPMTPURIHLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO2S/c1-13-6-7-18(14(2)8-13)27-11-15-9-19(28-12-15)20(26)25-17-5-3-4-16(10-17)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,26).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).