5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

C17H14FNOS — CID 27259768

IUPAC5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C17H14FNOS/c1-11-2-4-12(5-3-11)10-19-17(20)16-9-13-8-14(18)6-7-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUIRKYCWNZCQLKG-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.28
Rot. Bonds3

About 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 27259768) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID27259768
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C17H14FNOS/c1-11-2-4-12(5-3-11)10-19-17(20)16-9-13-8-14(18)6-7-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUIRKYCWNZCQLKG-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26643926
5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 55689322
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9396355
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9456291
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112821369
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 27259768) is 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is Cc1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1.
What is the InChIKey of 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UIRKYCWNZCQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11-2-4-12(5-3-11)10-19-17(20)16-9-13-8-14(18)6-7-15(13)21-16/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27259768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).