3-methoxy-2-methyl-4-thiophen-2-ylbenzamide

C13H13NO2S — CID 67414313

IUPAC3-methoxy-2-methyl-4-thiophen-2-ylbenzamide
SMILESCOc1c(-c2cccs2)ccc(C(N)=O)c1C
InChIInChI=1S/C13H13NO2S/c1-8-9(13(14)15)5-6-10(12(8)16-2)11-4-3-7-17-11/h3-7H,1-2H3,(H2,14,15)
InChIKeyKCOKIXWJEMJCGO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.83
Rot. Bonds3

About 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide

3-methoxy-2-methyl-4-thiophen-2-ylbenzamide (PubChem CID 67414313) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-thiophen-2-ylbenzamide
PubChem CID67414313
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-methoxy-2-methyl-4-thiophen-2-ylbenzamide
SMILESCOc1c(-c2cccs2)ccc(C(N)=O)c1C
InChIInChI=1S/C13H13NO2S/c1-8-9(13(14)15)5-6-10(12(8)16-2)11-4-3-7-17-11/h3-7H,1-2H3,(H2,14,15)
InChIKeyKCOKIXWJEMJCGO-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide?
The IUPAC name of 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide (CID 67414313) is 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide.
What is the SMILES notation for 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide?
The canonical SMILES for 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide is COc1c(-c2cccs2)ccc(C(N)=O)c1C.
What is the InChIKey of 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide?
The InChIKey is KCOKIXWJEMJCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-9(13(14)15)5-6-10(12(8)16-2)11-4-3-7-17-11/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide?
3-methoxy-2-methyl-4-thiophen-2-ylbenzamide has a molecular weight of 247.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 67414313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).