4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C15H11FN2OS — CID 26817295

IUPAC4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)sc2cccc(F)c12
InChIInChI=1S/C15H11FN2OS/c1-9-13-11(16)5-2-6-12(13)20-14(9)15(19)18-10-4-3-7-17-8-10/h2-8H,1H3,(H,18,19)
InChIKeyOGTXZNNOVMIIDL-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.00
Rot. Bonds2

About 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 26817295) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID26817295
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)sc2cccc(F)c12
InChIInChI=1S/C15H11FN2OS/c1-9-13-11(16)5-2-6-12(13)20-14(9)15(19)18-10-4-3-7-17-8-10/h2-8H,1H3,(H,18,19)
InChIKeyOGTXZNNOVMIIDL-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 7603352
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 28545025
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 26817295) is 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cccnc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is OGTXZNNOVMIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9-13-11(16)5-2-6-12(13)20-14(9)15(19)18-10-4-3-7-17-8-10/h2-8H,1H3,(H,18,19).
What are the key properties of 4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 4.00, 2 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-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26817295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).