2,4-dimethoxybenzamide;thiophene-2-carboxylic acid

C14H15NO5S — CID 174535152

IUPAC2,4-dimethoxybenzamide;thiophene-2-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cccs1
InChIInChI=1S/C9H11NO3.C5H4O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;6-5(7)4-2-1-3-8-4/h3-5H,1-2H3,(H2,10,11);1-3H,(H,6,7)
InChIKeyYGPODNRHUJDNPC-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.25
Rot. Bonds4

About 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid

2,4-dimethoxybenzamide;thiophene-2-carboxylic acid (PubChem CID 174535152) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethoxybenzamide;thiophene-2-carboxylic acid
PubChem CID174535152
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name2,4-dimethoxybenzamide;thiophene-2-carboxylic acid
SMILESCOc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cccs1
InChIInChI=1S/C9H11NO3.C5H4O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;6-5(7)4-2-1-3-8-4/h3-5H,1-2H3,(H2,10,11);1-3H,(H,6,7)
InChIKeyYGPODNRHUJDNPC-UHFFFAOYSA-N
XLogP2.25
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid?
The IUPAC name of 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid (CID 174535152) is 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid.
What is the SMILES notation for 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid?
The canonical SMILES for 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid is COc1ccc(C(N)=O)c(OC)c1.O=C(O)c1cccs1.
What is the InChIKey of 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid?
The InChIKey is YGPODNRHUJDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C5H4O2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2;6-5(7)4-2-1-3-8-4/h3-5H,1-2H3,(H2,10,11);1-3H,(H,6,7).
What are the key properties of 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid?
2,4-dimethoxybenzamide;thiophene-2-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzamide;thiophene-2-carboxylic acid is sourced from PubChem (CID 174535152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).