3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide

C15H10N2O4S2 — CID 15944428

IUPAC3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESCc1occc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1
InChIInChI=1S/C15H10N2O4S2/c1-9-10(6-7-20-9)14-16-17-15(21-14)22-12-8-23(18,19)13-5-3-2-4-11(12)13/h2-8H,1H3
InChIKeyGFGWSDODIBNYJA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.52
Rot. Bonds3

About 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide

3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide (PubChem CID 15944428) has the molecular formula C15H10N2O4S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide
PubChem CID15944428
Molecular FormulaC15H10N2O4S2
Molecular Weight346.39 g/mol
Exact Mass346.01
IUPAC Name3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESCc1occc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1
InChIInChI=1S/C15H10N2O4S2/c1-9-10(6-7-20-9)14-16-17-15(21-14)22-12-8-23(18,19)13-5-3-2-4-11(12)13/h2-8H,1H3
InChIKeyGFGWSDODIBNYJA-UHFFFAOYSA-N
XLogP3.52
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide (CID 15944428) is 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide is Cc1occc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1.
What is the InChIKey of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is GFGWSDODIBNYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S2/c1-9-10(6-7-20-9)14-16-17-15(21-14)22-12-8-23(18,19)13-5-3-2-4-11(12)13/h2-8H,1H3.
What are the key properties of 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide?
3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide has a molecular weight of 346.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 15944428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).