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

C15H12FNOS2 — CID 38560898

IUPAC4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H12FNOS2/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
InChIKeyBMOQIBZAIKDTIB-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.37
Rot. Bonds3

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

4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 38560898) has the molecular formula C15H12FNOS2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID38560898
Molecular FormulaC15H12FNOS2
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H12FNOS2/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
InChIKeyBMOQIBZAIKDTIB-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
4-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 64510878
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 38560898) is 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is CN(Cc1cccs1)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BMOQIBZAIKDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS2/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-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 38560898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).