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

C17H18FN3O4S3 — CID 46387705

IUPAC2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H18FN3O4S3/c1-20(2)28(24,25)16-7-13-17(27-16)26-10-15(23)21(13)9-14(22)19-8-11-4-3-5-12(18)6-11/h3-7H,8-10H2,1-2H3,(H,19,22)
InChIKeyZVBNNRSTKBLQAS-UHFFFAOYSA-N
MW443.55 g/mol
LogP1.89
Rot. Bonds6

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

2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 46387705) has the molecular formula C17H18FN3O4S3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID46387705
Molecular FormulaC17H18FN3O4S3
Molecular Weight443.55 g/mol
Exact Mass443.04
IUPAC Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H18FN3O4S3/c1-20(2)28(24,25)16-7-13-17(27-16)26-10-15(23)21(13)9-14(22)19-8-11-4-3-5-12(18)6-11/h3-7H,8-10H2,1-2H3,(H,19,22)
InChIKeyZVBNNRSTKBLQAS-UHFFFAOYSA-N
XLogP1.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387666
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46387681
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonylthieno[2,3-b][1,4]thiazin-1-yl)acetamide
CID 46387656
2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20974403
4-[2-(benzylamino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777166
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111875966
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 78810663
4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777153
N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974430
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 22577615
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
CID 47031214

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 46387705) is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide is CN(C)S(=O)(=O)c1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is ZVBNNRSTKBLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S3/c1-20(2)28(24,25)16-7-13-17(27-16)26-10-15(23)21(13)9-14(22)19-8-11-4-3-5-12(18)6-11/h3-7H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46387705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).