4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C23H16F3NO2S — CID 19498923

IUPAC4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H16F3NO2S/c24-23(25,26)19-7-3-4-8-20(19)27-22(28)21-11-15(14-30-21)13-29-18-10-9-16-5-1-2-6-17(16)12-18/h1-12,14H,13H2,(H,27,28)
InChIKeySJYLKUJEBLPIPZ-UHFFFAOYSA-N
MW427.45 g/mol
LogP6.75
Rot. Bonds5

About 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19498923) has the molecular formula C23H16F3NO2S and a molecular weight of 427.45 g/mol. Its IUPAC name is 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID19498923
Molecular FormulaC23H16F3NO2S
Molecular Weight427.45 g/mol
Exact Mass427.09
IUPAC Name4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H16F3NO2S/c24-23(25,26)19-7-3-4-8-20(19)27-22(28)21-11-15(14-30-21)13-29-18-10-9-16-5-1-2-6-17(16)12-18/h1-12,14H,13H2,(H,27,28)
InChIKeySJYLKUJEBLPIPZ-UHFFFAOYSA-N
XLogP6.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-nitrophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497034
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498990
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499069
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 19498923) is 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is SJYLKUJEBLPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2S/c24-23(25,26)19-7-3-4-8-20(19)27-22(28)21-11-15(14-30-21)13-29-18-10-9-16-5-1-2-6-17(16)12-18/h1-12,14H,13H2,(H,27,28).
What are the key properties of 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19498923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).