7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide

C13H15NO3S — CID 67796779

IUPAC7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
SMILESCCCOc1c(C(N)=O)sc2c(OC)cccc12
InChIInChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15)
InChIKeyHPMHBROQNWLRQE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.80
Rot. Bonds5

About 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide

7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide (PubChem CID 67796779) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
PubChem CID67796779
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
SMILESCCCOc1c(C(N)=O)sc2c(OC)cccc12
InChIInChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15)
InChIKeyHPMHBROQNWLRQE-UHFFFAOYSA-N
XLogP2.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide (CID 67796779) is 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide is CCCOc1c(C(N)=O)sc2c(OC)cccc12.
What is the InChIKey of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
The InChIKey is HPMHBROQNWLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-7-17-10-8-5-4-6-9(16-2)11(8)18-12(10)13(14)15/h4-6H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide?
7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 67796779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).