N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

C19H17F3N2O2S — CID 2870191

IUPACN-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCc1cccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C
InChIInChI=1S/C19H17F3N2O2S/c1-10-4-3-5-13(11(10)2)23-17(25)9-16-18(26)24-14-8-12(19(20,21)22)6-7-15(14)27-16/h3-8,16H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJYPYKZZCZSBAJV-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.76
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 2870191) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID2870191
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCc1cccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C
InChIInChI=1S/C19H17F3N2O2S/c1-10-4-3-5-13(11(10)2)23-17(25)9-16-18(26)24-14-8-12(19(20,21)22)6-7-15(14)27-16/h3-8,16H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJYPYKZZCZSBAJV-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-cyanophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2876418
N-(2,4-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 367690
N1-phenyl-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
CID 2822283
2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 3243123
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-ethylphenyl)-4-oxobutanamide
CID 16018977
N-[(4-fluorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899636
N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24980867
2-(2-Amino-phenylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 859481
6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
CID 2737092
N-benzyl-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2873842
2-(3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-YL)-N-(2-(tri-F-ME)phenyl)acetamide
CID 2852355

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (CID 2870191) is N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is Cc1cccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is JYPYKZZCZSBAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-10-4-3-5-13(11(10)2)23-17(25)9-16-18(26)24-14-8-12(19(20,21)22)6-7-15(14)27-16/h3-8,16H,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 2870191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).