6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide

C15H14FNOS — CID 115647228

IUPAC6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNOS/c1-3-5-12(4-2)17-15(18)14-8-10-6-7-11(16)9-13(10)19-14/h1,6-9,12H,4-5H2,2H3,(H,17,18)
InChIKeyXZPGIEVEATXNOK-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.57
Rot. Bonds4

About 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide

6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 115647228) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide
PubChem CID115647228
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNOS/c1-3-5-12(4-2)17-15(18)14-8-10-6-7-11(16)9-13(10)19-14/h1,6-9,12H,4-5H2,2H3,(H,17,18)
InChIKeyXZPGIEVEATXNOK-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 78969683
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
5-bromo-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647089
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
3-fluoro-N-hex-5-yn-3-yl-5-methylbenzamide
CID 115660003

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide (CID 115647228) is 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide is C#CCC(CC)NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is XZPGIEVEATXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-3-5-12(4-2)17-15(18)14-8-10-6-7-11(16)9-13(10)19-14/h1,6-9,12H,4-5H2,2H3,(H,17,18).
What are the key properties of 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide?
6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115647228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).