N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide

C20H15NO2S — CID 3629615

IUPACN-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C20H15NO2S/c1-23-18-12-14-5-3-2-4-13(14)11-17(18)20(22)21-16-6-7-19-15(10-16)8-9-24-19/h2-12H,1H3,(H,21,22)
InChIKeyAOWOXDPUSNLZQB-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.32
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide

N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 3629615) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID3629615
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC NameN-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C20H15NO2S/c1-23-18-12-14-5-3-2-4-13(14)11-17(18)20(22)21-16-6-7-19-15(10-16)8-9-24-19/h2-12H,1H3,(H,21,22)
InChIKeyAOWOXDPUSNLZQB-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide (CID 3629615) is N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is AOWOXDPUSNLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-23-18-12-14-5-3-2-4-13(14)11-17(18)20(22)21-16-6-7-19-15(10-16)8-9-24-19/h2-12H,1H3,(H,21,22).
What are the key properties of N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide?
N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3629615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).