2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid

C15H17NO5S — CID 174781114

IUPAC2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.Cc1ccsc1C(=O)O
InChIInChI=1S/C9H11NO3.C6H6O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;1-4-2-3-9-5(4)6(7)8/h3-5H,1-2H3,(H2,10,11);2-3H,1H3,(H,7,8)
InChIKeyBOGCBHQNQWSKTC-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.56
Rot. Bonds4

About 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid

2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid (PubChem CID 174781114) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid
PubChem CID174781114
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.Cc1ccsc1C(=O)O
InChIInChI=1S/C9H11NO3.C6H6O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;1-4-2-3-9-5(4)6(7)8/h3-5H,1-2H3,(H2,10,11);2-3H,1H3,(H,7,8)
InChIKeyBOGCBHQNQWSKTC-UHFFFAOYSA-N
XLogP2.56
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid?
The IUPAC name of 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid (CID 174781114) is 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid is COc1ccc(C(N)=O)c(OC)c1.Cc1ccsc1C(=O)O.
What is the InChIKey of 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid?
The InChIKey is BOGCBHQNQWSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C6H6O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;1-4-2-3-9-5(4)6(7)8/h3-5H,1-2H3,(H2,10,11);2-3H,1H3,(H,7,8).
What are the key properties of 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid?
2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzamide;3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 174781114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).