N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C19H17F3N2O3S — CID 55549734

IUPACN-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C19H17F3N2O3S/c1-24(11-12-6-2-4-8-14(12)27-19(20,21)22)17(25)10-16-18(26)23-13-7-3-5-9-15(13)28-16/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyXIXXRKFEPKUUQG-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.05
Rot. Bonds5

About N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 55549734) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID55549734
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C19H17F3N2O3S/c1-24(11-12-6-2-4-8-14(12)27-19(20,21)22)17(25)10-16-18(26)23-13-7-3-5-9-15(13)28-16/h2-9,16H,10-11H2,1H3,(H,23,26)
InChIKeyXIXXRKFEPKUUQG-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8008349
N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 9437479
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9469771
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 40954509
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 17408824
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276733
2-methyl-3-[methyl-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]propanoic acid
CID 119228643
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 55308762
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51181536

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 55549734) is N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is XIXXRKFEPKUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-24(11-12-6-2-4-8-14(12)27-19(20,21)22)17(25)10-16-18(26)23-13-7-3-5-9-15(13)28-16/h2-9,16H,10-11H2,1H3,(H,23,26).
What are the key properties of N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 410.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55549734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).