6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide

C15H14FNOS — CID 78970566

IUPAC6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNOS/c1-3-7-17(8-4-2)15(18)14-9-11-5-6-12(16)10-13(11)19-14/h1,5-6,9-10H,4,7-8H2,2H3
InChIKeyNUMNVGKTTXXLPB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.53
Rot. Bonds4

About 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide

6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide (PubChem CID 78970566) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
PubChem CID78970566
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNOS/c1-3-7-17(8-4-2)15(18)14-9-11-5-6-12(16)10-13(11)19-14/h1,5-6,9-10H,4,7-8H2,2H3
InChIKeyNUMNVGKTTXXLPB-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
2-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523
N-(cyanomethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 78915934
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
N-(2-chloroethyl)-6-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107491958
6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide
CID 115647228
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 29199446
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide (CID 78970566) is 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide is C#CCN(CCC)C(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide?
The InChIKey is NUMNVGKTTXXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-3-7-17(8-4-2)15(18)14-9-11-5-6-12(16)10-13(11)19-14/h1,5-6,9-10H,4,7-8H2,2H3.
What are the key properties of 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide?
6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78970566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).