N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide

C11H16N2O5S3 — CID 14537339

IUPACN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H16N2O5S3/c1-3-13(7(2)14)9-4-5-20(15,16)11-8(9)6-10(19-11)21(12,17)18/h6,9H,3-5H2,1-2H3,(H2,12,17,18)
InChIKeyXXQXLOKZZSHQOD-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.48
Rot. Bonds3

About N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide

N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide (PubChem CID 14537339) has the molecular formula C11H16N2O5S3 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide
PubChem CID14537339
Molecular FormulaC11H16N2O5S3
Molecular Weight352.46 g/mol
Exact Mass352.02
IUPAC NameN-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H16N2O5S3/c1-3-13(7(2)14)9-4-5-20(15,16)11-8(9)6-10(19-11)21(12,17)18/h6,9H,3-5H2,1-2H3,(H2,12,17,18)
InChIKeyXXQXLOKZZSHQOD-UHFFFAOYSA-N
XLogP0.48
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide?
The IUPAC name of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide (CID 14537339) is N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide.
What is the SMILES notation for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide?
The canonical SMILES for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide is CCN(C(C)=O)C1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide?
The InChIKey is XXQXLOKZZSHQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S3/c1-3-13(7(2)14)9-4-5-20(15,16)11-8(9)6-10(19-11)21(12,17)18/h6,9H,3-5H2,1-2H3,(H2,12,17,18).
What are the key properties of N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide?
N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide has a molecular weight of 352.46 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethylacetamide is sourced from PubChem (CID 14537339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).