4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide

C20H14FNOS2 — CID 24568109

IUPAC4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2cccs2)sc2cccc(F)c12
InChIInChI=1S/C20H14FNOS2/c1-12-18-14(21)7-4-9-17(18)25-19(12)20(23)22-15-8-3-2-6-13(15)16-10-5-11-24-16/h2-11H,1H3,(H,22,23)
InChIKeyVTOWTSQOLJHFMY-UHFFFAOYSA-N
MW367.47 g/mol
LogP6.33
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 24568109) has the molecular formula C20H14FNOS2 and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID24568109
Molecular FormulaC20H14FNOS2
Molecular Weight367.47 g/mol
Exact Mass367.05
IUPAC Name4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2cccs2)sc2cccc(F)c12
InChIInChI=1S/C20H14FNOS2/c1-12-18-14(21)7-4-9-17(18)25-19(12)20(23)22-15-8-3-2-6-13(15)16-10-5-11-24-16/h2-11H,1H3,(H,22,23)
InChIKeyVTOWTSQOLJHFMY-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 51287124
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55674016
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide (CID 24568109) is 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2-c2cccs2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VTOWTSQOLJHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNOS2/c1-12-18-14(21)7-4-9-17(18)25-19(12)20(23)22-15-8-3-2-6-13(15)16-10-5-11-24-16/h2-11H,1H3,(H,22,23).
What are the key properties of 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24568109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).