5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

C14H10FNOS2 — CID 55689322

IUPAC5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccsc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H10FNOS2/c15-11-1-2-12-10(5-11)6-13(19-12)14(17)16-7-9-3-4-18-8-9/h1-6,8H,7H2,(H,16,17)
InChIKeyQGYLOAWUCUJNLJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.03
Rot. Bonds3

About 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 55689322) has the molecular formula C14H10FNOS2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID55689322
Molecular FormulaC14H10FNOS2
Molecular Weight291.37 g/mol
Exact Mass291.02
IUPAC Name5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccsc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H10FNOS2/c15-11-1-2-12-10(5-11)6-13(19-12)14(17)16-7-9-3-4-18-8-9/h1-6,8H,7H2,(H,16,17)
InChIKeyQGYLOAWUCUJNLJ-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.03
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-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26643926
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9456291
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112821369
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
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-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 55689322) is 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCc1ccsc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QGYLOAWUCUJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS2/c15-11-1-2-12-10(5-11)6-13(19-12)14(17)16-7-9-3-4-18-8-9/h1-6,8H,7H2,(H,16,17).
What are the key properties of 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).