4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

C15H12FNO2S — CID 43002952

IUPAC4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H12FNO2S/c1-17(9-10-4-3-7-19-10)15(18)14-8-11-12(16)5-2-6-13(11)20-14/h2-8H,9H2,1H3
InChIKeyLRHQFKPALJOFAA-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.91
Rot. Bonds3

About 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 43002952) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID43002952
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H12FNO2S/c1-17(9-10-4-3-7-19-10)15(18)14-8-11-12(16)5-2-6-13(11)20-14/h2-8H,9H2,1H3
InChIKeyLRHQFKPALJOFAA-UHFFFAOYSA-N
XLogP3.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 38560898
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide
CID 74230918
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 43002952) is 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(Cc1ccco1)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LRHQFKPALJOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-17(9-10-4-3-7-19-10)15(18)14-8-11-12(16)5-2-6-13(11)20-14/h2-8H,9H2,1H3.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43002952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).