N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide

C13H14FNOS — CID 78911895

IUPACN,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNOS/c1-3-15(4-2)13(16)12-7-9-5-6-10(14)8-11(9)17-12/h5-8H,3-4H2,1-2H3
InChIKeyMPVFTOLLKXBIBG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.52
Rot. Bonds3

About N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide

N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 78911895) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID78911895
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC NameN,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNOS/c1-3-15(4-2)13(16)12-7-9-5-6-10(14)8-11(9)17-12/h5-8H,3-4H2,1-2H3
InChIKeyMPVFTOLLKXBIBG-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 78970566
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
N-(cyanomethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 78915934
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
N-(2-chloroethyl)-6-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107491958
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 29199446
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide (CID 78911895) is N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide is CCN(CC)C(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is MPVFTOLLKXBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-3-15(4-2)13(16)12-7-9-5-6-10(14)8-11(9)17-12/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide?
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78911895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).