N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide

C15H11NO2S — CID 51250610

IUPACN-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1cc2ccccc2s1
InChIInChI=1S/C15H11NO2S/c17-12-7-3-2-6-11(12)16-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-9,17H,(H,16,18)
InChIKeyKCKCOAQZQHQNMH-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.86
Rot. Bonds2

About N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide

N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 51250610) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID51250610
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC NameN-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1cc2ccccc2s1
InChIInChI=1S/C15H11NO2S/c17-12-7-3-2-6-11(12)16-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-9,17H,(H,16,18)
InChIKeyKCKCOAQZQHQNMH-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 142723952
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid
CID 131974287
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide (CID 51250610) is N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KCKCOAQZQHQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-12-7-3-2-6-11(12)16-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-9,17H,(H,16,18).
What are the key properties of N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51250610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).