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

C17H19N3O5S3 — CID 46387663

IUPAC2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N(C)C)cc32)cc1
InChIInChI=1S/C17H19N3O5S3/c1-19(2)28(23,24)16-8-13-17(27-16)26-10-15(22)20(13)9-14(21)18-11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,18,21)
InChIKeyWULCIEQPRXJCOJ-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.08
Rot. Bonds6

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

2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 46387663) has the molecular formula C17H19N3O5S3 and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID46387663
Molecular FormulaC17H19N3O5S3
Molecular Weight441.56 g/mol
Exact Mass441.05
IUPAC Name2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N(C)C)cc32)cc1
InChIInChI=1S/C17H19N3O5S3/c1-19(2)28(23,24)16-8-13-17(27-16)26-10-15(22)20(13)9-14(21)18-11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,18,21)
InChIKeyWULCIEQPRXJCOJ-UHFFFAOYSA-N
XLogP2.08
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46387681
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-[(3-fluorophenyl)methyl]acetamide
CID 46387705
2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 7668021
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonylthieno[2,3-b][1,4]thiazin-1-yl)acetamide
CID 46387656
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
4-[2-(3-methoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777148
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
CID 20877242
N-(3,5-dimethoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777240
N-(4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46344147

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 46387663) is 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N(C)C)cc32)cc1.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is WULCIEQPRXJCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S3/c1-19(2)28(23,24)16-8-13-17(27-16)26-10-15(22)20(13)9-14(21)18-11-4-6-12(25-3)7-5-11/h4-8H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 441.56 g/mol, XLogP of 2.08, 6 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46387663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).