5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

C13H15NO2S — CID 10377381

IUPAC5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(N)=O)c(OC(C)C)c2c1
InChIInChI=1S/C13H15NO2S/c1-7(2)16-11-9-6-8(3)4-5-10(9)17-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)
InChIKeyHMXQOYKEYSMCQC-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.10
Rot. Bonds3

About 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide

5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 10377381) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
PubChem CID10377381
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(N)=O)c(OC(C)C)c2c1
InChIInChI=1S/C13H15NO2S/c1-7(2)16-11-9-6-8(3)4-5-10(9)17-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)
InChIKeyHMXQOYKEYSMCQC-UHFFFAOYSA-N
XLogP3.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide (CID 10377381) is 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(N)=O)c(OC(C)C)c2c1.
What is the InChIKey of 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is HMXQOYKEYSMCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-7(2)16-11-9-6-8(3)4-5-10(9)17-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15).
What are the key properties of 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide?
5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10377381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).