4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C24H20N2O2S — CID 19491015

IUPAC4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2ccccc2)cs1
InChIInChI=1S/C24H20N2O2S/c27-24(23-15-20(17-29-23)16-28-22-4-2-1-3-5-22)26-21-8-6-18(7-9-21)14-19-10-12-25-13-11-19/h1-13,15,17H,14,16H2,(H,26,27)
InChIKeyQVSOZRGKJSWQIZ-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.57
Rot. Bonds7

About 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19491015) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19491015
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2ccccc2)cs1
InChIInChI=1S/C24H20N2O2S/c27-24(23-15-20(17-29-23)16-28-22-4-2-1-3-5-22)26-21-8-6-18(7-9-21)14-19-10-12-25-13-11-19/h1-13,15,17H,14,16H2,(H,26,27)
InChIKeyQVSOZRGKJSWQIZ-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
CID 19497084
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490888
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19491015) is 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2ccccc2)cs1.
What is the InChIKey of 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QVSOZRGKJSWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-24(23-15-20(17-29-23)16-28-22-4-2-1-3-5-22)26-21-8-6-18(7-9-21)14-19-10-12-25-13-11-19/h1-13,15,17H,14,16H2,(H,26,27).
What are the key properties of 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19491015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).