4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide

C17H13FN2O2S — CID 19493237

IUPAC4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(COc2cccc(F)c2)cs1
InChIInChI=1S/C17H13FN2O2S/c18-13-4-3-5-14(9-13)22-10-12-8-15(23-11-12)17(21)20-16-6-1-2-7-19-16/h1-9,11H,10H2,(H,19,20,21)
InChIKeyPPYSJWXBVPESKD-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.11
Rot. Bonds5

About 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide

4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 19493237) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID19493237
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(COc2cccc(F)c2)cs1
InChIInChI=1S/C17H13FN2O2S/c18-13-4-3-5-14(9-13)22-10-12-8-15(23-11-12)17(21)20-16-6-1-2-7-19-16/h1-9,11H,10H2,(H,19,20,21)
InChIKeyPPYSJWXBVPESKD-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493313
4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19493284
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493138
4-[(3-fluorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19493220
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
4-[(3-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19493164
N-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (CID 19493237) is 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide is O=C(Nc1ccccn1)c1cc(COc2cccc(F)c2)cs1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is PPYSJWXBVPESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-13-4-3-5-14(9-13)22-10-12-8-15(23-11-12)17(21)20-16-6-1-2-7-19-16/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.11, 5 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-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 19493237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).