5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide

C17H14FNO2S — CID 9456291

IUPAC5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C17H14FNO2S/c1-21-14-4-2-3-11(7-14)10-19-17(20)16-9-12-8-13(18)5-6-15(12)22-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHXLHDZYZGANQHW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.98
Rot. Bonds4

About 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 9456291) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID9456291
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C17H14FNO2S/c1-21-14-4-2-3-11(7-14)10-19-17(20)16-9-12-8-13(18)5-6-15(12)22-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyHXLHDZYZGANQHW-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 55689322
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 152876598
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
5-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810734
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 9456291) is 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide is COc1cccc(CNC(=O)c2cc3cc(F)ccc3s2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HXLHDZYZGANQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-21-14-4-2-3-11(7-14)10-19-17(20)16-9-12-8-13(18)5-6-15(12)22-16/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9456291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).