3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

C17H16N2O2S — CID 37015182

IUPAC3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-11(2)7-12(6-10)17(21)18-13-3-4-15-14(8-13)19-16(20)9-22-15/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYFVKVWAWYYMHRM-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.60
Rot. Bonds2

About 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (PubChem CID 37015182) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
PubChem CID37015182
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C17H16N2O2S/c1-10-5-11(2)7-12(6-10)17(21)18-13-3-4-15-14(8-13)19-16(20)9-22-15/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYFVKVWAWYYMHRM-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (CID 37015182) is 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The InChIKey is YFVKVWAWYYMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-5-11(2)7-12(6-10)17(21)18-13-3-4-15-14(8-13)19-16(20)9-22-15/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is sourced from PubChem (CID 37015182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).