2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C15H15NO2S — CID 55126711

IUPAC2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESO=C(NC1CCCc2sccc21)c1ccccc1O
InChIInChI=1S/C15H15NO2S/c17-13-6-2-1-4-11(13)15(18)16-12-5-3-7-14-10(12)8-9-19-14/h1-2,4,6,8-9,12,17H,3,5,7H2,(H,16,18)
InChIKeyYMCVRBXKCMRNSS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.26
Rot. Bonds2

About 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 55126711) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID55126711
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESO=C(NC1CCCc2sccc21)c1ccccc1O
InChIInChI=1S/C15H15NO2S/c17-13-6-2-1-4-11(13)15(18)16-12-5-3-7-14-10(12)8-9-19-14/h1-2,4,6,8-9,12,17H,3,5,7H2,(H,16,18)
InChIKeyYMCVRBXKCMRNSS-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844409
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
2-hydroxy-3-methoxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844241
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843049
2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-carboxamide
CID 62844798
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058
2,3-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 105381165
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 55126711) is 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is O=C(NC1CCCc2sccc21)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is YMCVRBXKCMRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-13-6-2-1-4-11(13)15(18)16-12-5-3-7-14-10(12)8-9-19-14/h1-2,4,6,8-9,12,17H,3,5,7H2,(H,16,18).
What are the key properties of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 273.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 55126711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).