2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H18N4O4S3 — CID 92710398

IUPAC2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1C(=O)[C@H](CC(=O)Nc2nccs2)Sc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C16H18N4O4S3/c1-19(2)27(23,24)10-4-5-12-11(8-10)20(3)15(22)13(26-12)9-14(21)18-16-17-6-7-25-16/h4-8,13H,9H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyDFYWPDZNZADMOQ-ZDUSSCGKSA-N
MW426.55 g/mol
LogP1.86
Rot. Bonds5

About 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92710398) has the molecular formula C16H18N4O4S3 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID92710398
Molecular FormulaC16H18N4O4S3
Molecular Weight426.55 g/mol
Exact Mass426.05
IUPAC Name2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1C(=O)[C@H](CC(=O)Nc2nccs2)Sc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C16H18N4O4S3/c1-19(2)27(23,24)10-4-5-12-11(8-10)20(3)15(22)13(26-12)9-14(21)18-16-17-6-7-25-16/h4-8,13H,9H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyDFYWPDZNZADMOQ-ZDUSSCGKSA-N
XLogP1.86
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]acetamide
CID 50794218
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
CID 3499398
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40953171
1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 45495588
2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602065
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 46651069
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 18593155
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562223
2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3847272
4-[[5-(dimethylsulfamoyl)-1-benzofuran-2-yl]methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 45490906

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 92710398) is 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is CN1C(=O)[C@H](CC(=O)Nc2nccs2)Sc2ccc(S(=O)(=O)N(C)C)cc21.
What is the InChIKey of 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DFYWPDZNZADMOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O4S3/c1-19(2)27(23,24)10-4-5-12-11(8-10)20(3)15(22)13(26-12)9-14(21)18-16-17-6-7-25-16/h4-8,13H,9H2,1-3H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 426.55 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92710398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).