4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide

C18H14FNO2S — CID 19469454

IUPAC4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21)
InChIKeyOZBWRNUSQLPDPS-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.72
Rot. Bonds5

About 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 19469454) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID19469454
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21)
InChIKeyOZBWRNUSQLPDPS-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19469497
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19491015
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
CID 19497084
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide (CID 19469454) is 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide is O=C(Nc1ccccc1)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is OZBWRNUSQLPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide?
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 19469454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).