5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

C18H15FN2OS — CID 24661243

IUPAC5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2OS/c19-15-5-3-14(4-6-15)16-7-8-17(23-16)18(22)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,22)
InChIKeyMJIMBHXWPIVKNZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 24661243) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
PubChem CID24661243
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2OS/c19-15-5-3-14(4-6-15)16-7-8-17(23-16)18(22)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,22)
InChIKeyMJIMBHXWPIVKNZ-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
CID 9182638
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 71958546
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 24661243) is 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is O=C(NCCc1cccnc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is MJIMBHXWPIVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-5-3-14(4-6-15)16-7-8-17(23-16)18(22)21-11-9-13-2-1-10-20-12-13/h1-8,10,12H,9,11H2,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24661243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).