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

C18H15F3N2O3S — CID 55473951

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)11-26-13-7-5-12(6-8-13)22-16(24)9-23-14-3-1-2-4-15(14)27-10-17(23)25/h1-8H,9-11H2,(H,22,24)
InChIKeyHCEIMTNXTCLTGZ-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.71
Rot. Bonds5

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

2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 55473951) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID55473951
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)11-26-13-7-5-12(6-8-13)22-16(24)9-23-14-3-1-2-4-15(14)27-10-17(23)25/h1-8H,9-11H2,(H,22,24)
InChIKeyHCEIMTNXTCLTGZ-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 55377611
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673538
N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 35347666
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 55473951) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is HCEIMTNXTCLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c19-18(20,21)11-26-13-7-5-12(6-8-13)22-16(24)9-23-14-3-1-2-4-15(14)27-10-17(23)25/h1-8H,9-11H2,(H,22,24).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 55473951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).