4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

C17H14FNOS — CID 9455401

IUPAC4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H14FNOS/c1-11-5-7-12(8-6-11)10-19-17(20)16-9-13-14(18)3-2-4-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYJLWWOUCEVBQAN-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.28
Rot. Bonds3

About 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 9455401) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID9455401
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H14FNOS/c1-11-5-7-12(8-6-11)10-19-17(20)16-9-13-14(18)3-2-4-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYJLWWOUCEVBQAN-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306
N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 39573905
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
4-fluoro-3-methoxy-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 50845886
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
N-[[2-(ethoxymethyl)phenyl]methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43062587
5-benzyl-N-[(4-methylphenyl)methyl]-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 53134833
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172399
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 9455401) is 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(F)cccc3s2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YJLWWOUCEVBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11-5-7-12(8-6-11)10-19-17(20)16-9-13-14(18)3-2-4-15(13)21-16/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9455401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).