4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C24H19FN2O2S — CID 19493328

IUPAC4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2cccc(F)c2)cs1
InChIInChI=1S/C24H19FN2O2S/c25-20-2-1-3-22(14-20)29-15-19-13-23(30-16-19)24(28)27-21-6-4-17(5-7-21)12-18-8-10-26-11-9-18/h1-11,13-14,16H,12,15H2,(H,27,28)
InChIKeyIVZSCRSJEUYPQF-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.70
Rot. Bonds7

About 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19493328) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19493328
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2cccc(F)c2)cs1
InChIInChI=1S/C24H19FN2O2S/c25-20-2-1-3-22(14-20)29-15-19-13-23(30-16-19)24(28)27-21-6-4-17(5-7-21)12-18-8-10-26-11-9-18/h1-11,13-14,16H,12,15H2,(H,27,28)
InChIKeyIVZSCRSJEUYPQF-UHFFFAOYSA-N
XLogP5.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814188
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814266
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
3-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 23093997
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 23094027
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830567
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
5-[[3-(Thiophene-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156582

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19493328) is 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(COc2cccc(F)c2)cs1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IVZSCRSJEUYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c25-20-2-1-3-22(14-20)29-15-19-13-23(30-16-19)24(28)27-21-6-4-17(5-7-21)12-18-8-10-26-11-9-18/h1-11,13-14,16H,12,15H2,(H,27,28).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).