5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

C15H12FNOS2 — CID 46636468

IUPAC5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2s1)c1cccs1
InChIInChI=1S/C15H12FNOS2/c1-9(12-3-2-6-19-12)17-15(18)14-8-10-7-11(16)4-5-13(10)20-14/h2-9H,1H3,(H,17,18)
InChIKeySQESVAZCYRXNCC-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.59
Rot. Bonds3

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

5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 46636468) has the molecular formula C15H12FNOS2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID46636468
Molecular FormulaC15H12FNOS2
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2s1)c1cccs1
InChIInChI=1S/C15H12FNOS2/c1-9(12-3-2-6-19-12)17-15(18)14-8-10-7-11(16)4-5-13(10)20-14/h2-9H,1H3,(H,17,18)
InChIKeySQESVAZCYRXNCC-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 126853656
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
(2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564702
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 9309649
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (CID 46636468) is 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2s1)c1cccs1.
What is the InChIKey of 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SQESVAZCYRXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS2/c1-9(12-3-2-6-19-12)17-15(18)14-8-10-7-11(16)4-5-13(10)20-14/h2-9H,1H3,(H,17,18).
What are the key properties of 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46636468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).