4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C14H9FN2OS — CID 17396124

IUPAC4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C14H9FN2OS/c15-11-4-1-5-12-10(11)7-13(19-12)14(18)17-9-3-2-6-16-8-9/h1-8H,(H,17,18)
InChIKeyASPQRHGWPNGSEC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

About 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 17396124) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID17396124
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C14H9FN2OS/c15-11-4-1-5-12-10(11)7-13(19-12)14(18)17-9-3-2-6-16-8-9/h1-8H,(H,17,18)
InChIKeyASPQRHGWPNGSEC-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 167822765
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 51129808
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55902337
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 33310920
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzothiophene-2-carboxamide
CID 78927864

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 17396124) is 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cccnc1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is ASPQRHGWPNGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-11-4-1-5-12-10(11)7-13(19-12)14(18)17-9-3-2-6-16-8-9/h1-8H,(H,17,18).
What are the key properties of 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17396124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).