3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide

C15H17FN2OS — CID 79510859

IUPAC3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCC1CCCC1NC(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H17FN2OS/c1-8-4-2-6-10(8)18-15(19)14-13(17)12-9(16)5-3-7-11(12)20-14/h3,5,7-8,10H,2,4,6,17H2,1H3,(H,18,19)
InChIKeyUBOISEUZWMOFSX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.54
Rot. Bonds2

About 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide

3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide (PubChem CID 79510859) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
PubChem CID79510859
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCC1CCCC1NC(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H17FN2OS/c1-8-4-2-6-10(8)18-15(19)14-13(17)12-9(16)5-3-7-11(12)20-14/h3,5,7-8,10H,2,4,6,17H2,1H3,(H,18,19)
InChIKeyUBOISEUZWMOFSX-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 79517609
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79512175
3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 79516022
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 79512169
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119601294
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255
3-amino-4-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511989

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide (CID 79510859) is 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide is CC1CCCC1NC(=O)c1sc2cccc(F)c2c1N.
What is the InChIKey of 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UBOISEUZWMOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-8-4-2-6-10(8)18-15(19)14-13(17)12-9(16)5-3-7-11(12)20-14/h3,5,7-8,10H,2,4,6,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79510859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).