2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide

C13H19N3O5S3 — CID 46387681

IUPAC2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2sc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O5S3/c1-15(2)24(19,20)12-6-9-13(23-12)22-8-11(18)16(9)7-10(17)14-4-5-21-3/h6H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyHAQVTXLBMIMBGA-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.20
Rot. Bonds7

About 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 46387681) has the molecular formula C13H19N3O5S3 and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID46387681
Molecular FormulaC13H19N3O5S3
Molecular Weight393.51 g/mol
Exact Mass393.05
IUPAC Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2sc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O5S3/c1-15(2)24(19,20)12-6-9-13(23-12)22-8-11(18)16(9)7-10(17)14-4-5-21-3/h6H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyHAQVTXLBMIMBGA-UHFFFAOYSA-N
XLogP0.20
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxyphenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387706
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 46387663
N-[(2-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387666
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonylthieno[2,3-b][1,4]thiazin-1-yl)acetamide
CID 46387656
N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974420
N-(3-methoxypropyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777246
N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 65361308
2-[6-(dipropylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-heptylacetamide
CID 46372472
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methoxyethyl)acetamide
CID 47097554

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 46387681) is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1C(=O)CSc2sc(S(=O)(=O)N(C)C)cc21.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is HAQVTXLBMIMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S3/c1-15(2)24(19,20)12-6-9-13(23-12)22-8-11(18)16(9)7-10(17)14-4-5-21-3/h6H,4-5,7-8H2,1-3H3,(H,14,17).
What are the key properties of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46387681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).