N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide

C25H17NOS — CID 142723952

IUPACN-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc2ccccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C25H17NOS/c27-25(24-16-20-9-3-6-12-23(20)28-24)26-22-11-5-4-10-21(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,26,27)
InChIKeyYFVPIYNPYVTZSY-UHFFFAOYSA-N
MW379.48 g/mol
LogP6.97
Rot. Bonds3

About N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide

N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 142723952) has the molecular formula C25H17NOS and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID142723952
Molecular FormulaC25H17NOS
Molecular Weight379.48 g/mol
Exact Mass379.10
IUPAC NameN-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc2ccccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C25H17NOS/c27-25(24-16-20-9-3-6-12-23(20)28-24)26-22-11-5-4-10-21(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,26,27)
InChIKeyYFVPIYNPYVTZSY-UHFFFAOYSA-N
XLogP6.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide (CID 142723952) is N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1-c1ccc2ccccc2c1)c1cc2ccccc2s1.
What is the InChIKey of N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YFVPIYNPYVTZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NOS/c27-25(24-16-20-9-3-6-12-23(20)28-24)26-22-11-5-4-10-21(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,26,27).
What are the key properties of N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide?
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 6.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142723952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).