5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide

C11H11NO2S2 — CID 10824775

IUPAC5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(SC)c2c1
InChIInChI=1S/C11H11NO2S2/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13)
InChIKeyBVURZZANHAEUAO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds3

About 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide

5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide (PubChem CID 10824775) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide
PubChem CID10824775
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(N)=O)c(SC)c2c1
InChIInChI=1S/C11H11NO2S2/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13)
InChIKeyBVURZZANHAEUAO-UHFFFAOYSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide (CID 10824775) is 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(N)=O)c(SC)c2c1.
What is the InChIKey of 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide?
The InChIKey is BVURZZANHAEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-14-6-3-4-8-7(5-6)9(15-2)10(16-8)11(12)13/h3-5H,1-2H3,(H2,12,13).
What are the key properties of 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide?
5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylsulfanyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10824775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).