4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

C16H12FNO2S — CID 31509000

IUPAC4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H12FNO2S/c1-20-13-7-3-2-6-12(13)18-16(19)15-9-10-11(17)5-4-8-14(10)21-15/h2-9H,1H3,(H,18,19)
InChIKeyWUTORAAEBHXWEU-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.30
Rot. Bonds3

About 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 31509000) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID31509000
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H12FNO2S/c1-20-13-7-3-2-6-12(13)18-16(19)15-9-10-11(17)5-4-8-14(10)21-15/h2-9H,1H3,(H,18,19)
InChIKeyWUTORAAEBHXWEU-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 8838723
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 51129808
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-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 31509000) is 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccccc1NC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WUTORAAEBHXWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-20-13-7-3-2-6-12(13)18-16(19)15-9-10-11(17)5-4-8-14(10)21-15/h2-9H,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31509000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).