3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide

C12H11NO3S — CID 79601178

IUPAC3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccsc2)cc1O
InChIInChI=1S/C12H11NO3S/c1-16-11-3-2-8(6-10(11)14)12(15)13-9-4-5-17-7-9/h2-7,14H,1H3,(H,13,15)
InChIKeyHCXFHLGGPDVQID-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.71
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide

3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide (PubChem CID 79601178) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
PubChem CID79601178
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccsc2)cc1O
InChIInChI=1S/C12H11NO3S/c1-16-11-3-2-8(6-10(11)14)12(15)13-9-4-5-17-7-9/h2-7,14H,1H3,(H,13,15)
InChIKeyHCXFHLGGPDVQID-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
3-chloro-4-hydroxy-N-thiophen-3-ylbenzamide
CID 64988130
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide (CID 79601178) is 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide is COc1ccc(C(=O)Nc2ccsc2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide?
The InChIKey is HCXFHLGGPDVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-11-3-2-8(6-10(11)14)12(15)13-9-4-5-17-7-9/h2-7,14H,1H3,(H,13,15).
What are the key properties of 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide?
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide has a molecular weight of 249.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 79601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).