4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide

C20H13FN2O2S — CID 51129808

IUPAC4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnccc1Oc1ccccc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C20H13FN2O2S/c21-15-7-4-8-18-14(15)11-19(26-18)20(24)23-16-12-22-10-9-17(16)25-13-5-2-1-3-6-13/h1-12H,(H,23,24)
InChIKeyPVPWWFJHQOQRFX-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.48
Rot. Bonds4

About 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 51129808) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID51129808
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC Name4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnccc1Oc1ccccc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C20H13FN2O2S/c21-15-7-4-8-18-14(15)11-19(26-18)20(24)23-16-12-22-10-9-17(16)25-13-5-2-1-3-6-13/h1-12H,(H,23,24)
InChIKeyPVPWWFJHQOQRFX-UHFFFAOYSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55902337
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 30469108
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 51103032
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 8838723
N-(4-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 119866026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide (CID 51129808) is 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cnccc1Oc1ccccc1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is PVPWWFJHQOQRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-15-7-4-8-18-14(15)11-19(26-18)20(24)23-16-12-22-10-9-17(16)25-13-5-2-1-3-6-13/h1-12H,(H,23,24).
What are the key properties of 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51129808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).