N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide

C14H9BrN2OS — CID 102674100

IUPACN-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc2ccccc2s1
InChIInChI=1S/C14H9BrN2OS/c15-10-5-6-16-13(8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18)
InChIKeyKUEBZOBNTFPNEQ-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.31
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide

N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 102674100) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID102674100
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC NameN-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc2ccccc2s1
InChIInChI=1S/C14H9BrN2OS/c15-10-5-6-16-13(8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18)
InChIKeyKUEBZOBNTFPNEQ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-pyridinyl)-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

N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-pyrazolo[1,5-a]pyrimidin-7-yl-1-benzothiophene-2-carboxamide
CID 167973199
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzothiophene-2-carboxamide
CID 122316823
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 102674100) is N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cc(Br)ccn1)c1cc2ccccc2s1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KUEBZOBNTFPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-10-5-6-16-13(8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18).
What are the key properties of N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide?
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 333.21 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 102674100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).