3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide

C17H11ClN2O2S — CID 675783

IUPAC3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccccc3C#N)sc2c1
InChIInChI=1S/C17H11ClN2O2S/c1-22-11-6-7-12-14(8-11)23-16(15(12)18)17(21)20-13-5-3-2-4-10(13)9-19/h2-8H,1H3,(H,20,21)
InChIKeyZSKYHUNCPQETSY-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.69
Rot. Bonds3

About 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide

3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 675783) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID675783
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Name3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccccc3C#N)sc2c1
InChIInChI=1S/C17H11ClN2O2S/c1-22-11-6-7-12-14(8-11)23-16(15(12)18)17(21)20-13-5-3-2-4-10(13)9-19/h2-8H,1H3,(H,20,21)
InChIKeyZSKYHUNCPQETSY-UHFFFAOYSA-N
XLogP4.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2353162
6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 988675
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
[2-(2-cyanoanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 7395428
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide (CID 675783) is 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C#N)sc2c1.
What is the InChIKey of 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is ZSKYHUNCPQETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c1-22-11-6-7-12-14(8-11)23-16(15(12)18)17(21)20-13-5-3-2-4-10(13)9-19/h2-8H,1H3,(H,20,21).
What are the key properties of 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 342.81 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).