7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C13H15NO3S — CID 11777631

IUPAC7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCOc1cccc2c(OC(C)C)c(C(N)=O)sc12
InChIInChI=1S/C13H15NO3S/c1-7(2)17-10-8-5-4-6-9(16-3)11(8)18-12(10)13(14)15/h4-7H,1-3H3,(H2,14,15)
InChIKeySVQZNMPFNZJHDD-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.80
Rot. Bonds4

About 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 11777631) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID11777631
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCOc1cccc2c(OC(C)C)c(C(N)=O)sc12
InChIInChI=1S/C13H15NO3S/c1-7(2)17-10-8-5-4-6-9(16-3)11(8)18-12(10)13(14)15/h4-7H,1-3H3,(H2,14,15)
InChIKeySVQZNMPFNZJHDD-UHFFFAOYSA-N
XLogP2.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 11777631) is 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is COc1cccc2c(OC(C)C)c(C(N)=O)sc12.
What is the InChIKey of 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is SVQZNMPFNZJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-7(2)17-10-8-5-4-6-9(16-3)11(8)18-12(10)13(14)15/h4-7H,1-3H3,(H2,14,15).
What are the key properties of 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).