N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide

C16H13NO2S — CID 82829825

IUPACN-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NO2S/c1-10-13(3-2-4-14(10)18)16(19)17-12-5-6-15-11(9-12)7-8-20-15/h2-9,18H,1H3,(H,17,19)
InChIKeyDPBFSLDGDQYQFJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.17
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide

N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide (PubChem CID 82829825) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
PubChem CID82829825
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC NameN-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H13NO2S/c1-10-13(3-2-4-14(10)18)16(19)17-12-5-6-15-11(9-12)7-8-20-15/h2-9,18H,1H3,(H,17,19)
InChIKeyDPBFSLDGDQYQFJ-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
CID 106685930
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide (CID 82829825) is N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide?
The InChIKey is DPBFSLDGDQYQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10-13(3-2-4-14(10)18)16(19)17-12-5-6-15-11(9-12)7-8-20-15/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide?
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide has a molecular weight of 283.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).