3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C14H8Cl2N2OS — CID 896662

IUPAC3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C14H8Cl2N2OS/c15-9-4-1-5-10-11(9)12(16)13(20-10)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19)
InChIKeyIQTBRHIFDYFPHB-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.86
Rot. Bonds2

About 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 896662) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID896662
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC Name3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C14H8Cl2N2OS/c15-9-4-1-5-10-11(9)12(16)13(20-10)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19)
InChIKeyIQTBRHIFDYFPHB-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4676424
3,6-dichloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 30337065
3,4-dichloro-N-(4-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 1124678
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
CID 66354000
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 896662) is 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cccnc1)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is IQTBRHIFDYFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-9-4-1-5-10-11(9)12(16)13(20-10)14(19)18-8-3-2-6-17-7-8/h1-7H,(H,18,19).
What are the key properties of 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 896662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).