N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide

C21H16N2O2S — CID 176510092

IUPACN-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(=O)n1Cc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C21H16N2O2S/c24-20-12-6-11-19(23(20)13-15-7-2-1-3-8-15)22-21(25)17-14-26-18-10-5-4-9-16(17)18/h1-12,14H,13H2,(H,22,25)
InChIKeyWEYSLHBYFXPYSE-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.36
Rot. Bonds4

About N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide

N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide (PubChem CID 176510092) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide
PubChem CID176510092
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(=O)n1Cc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C21H16N2O2S/c24-20-12-6-11-19(23(20)13-15-7-2-1-3-8-15)22-21(25)17-14-26-18-10-5-4-9-16(17)18/h1-12,14H,13H2,(H,22,25)
InChIKeyWEYSLHBYFXPYSE-UHFFFAOYSA-N
XLogP4.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide (CID 176510092) is N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide is O=C(Nc1cccc(=O)n1Cc1ccccc1)c1csc2ccccc12.
What is the InChIKey of N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide?
The InChIKey is WEYSLHBYFXPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20-12-6-11-19(23(20)13-15-7-2-1-3-8-15)22-21(25)17-14-26-18-10-5-4-9-16(17)18/h1-12,14H,13H2,(H,22,25).
What are the key properties of N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide?
N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-oxo-2-pyridinyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 176510092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).