6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

C18H11N3OS — CID 155515711

IUPAC6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESN#Cc1ccc2cc(C(=O)Nc3cccc4[nH]ccc34)sc2c1
InChIInChI=1S/C18H11N3OS/c19-10-11-4-5-12-9-17(23-16(12)8-11)18(22)21-15-3-1-2-14-13(15)6-7-20-14/h1-9,20H,(H,21,22)
InChIKeyRJEUPXJPZZGLLJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.51
Rot. Bonds2

About 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 155515711) has the molecular formula C18H11N3OS and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID155515711
Molecular FormulaC18H11N3OS
Molecular Weight317.37 g/mol
Exact Mass317.06
IUPAC Name6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESN#Cc1ccc2cc(C(=O)Nc3cccc4[nH]ccc34)sc2c1
InChIInChI=1S/C18H11N3OS/c19-10-11-4-5-12-9-17(23-16(12)8-11)18(22)21-15-3-1-2-14-13(15)6-7-20-14/h1-9,20H,(H,21,22)
InChIKeyRJEUPXJPZZGLLJ-UHFFFAOYSA-N
XLogP4.51
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (CID 155515711) is 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is N#Cc1ccc2cc(C(=O)Nc3cccc4[nH]ccc34)sc2c1.
What is the InChIKey of 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is RJEUPXJPZZGLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3OS/c19-10-11-4-5-12-9-17(23-16(12)8-11)18(22)21-15-3-1-2-14-13(15)6-7-20-14/h1-9,20H,(H,21,22).
What are the key properties of 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).