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

C18H15F3N2O2S — CID 55480535

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O2S/c1-11-6-7-12(8-13(11)18(19,20)21)22-16(24)9-23-14-4-2-3-5-15(14)26-10-17(23)25/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyJSPHKQRRFGPZPL-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.09
Rot. Bonds3

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

N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 55480535) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID55480535
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O2S/c1-11-6-7-12(8-13(11)18(19,20)21)22-16(24)9-23-14-4-2-3-5-15(14)26-10-17(23)25/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyJSPHKQRRFGPZPL-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55473951
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 35347666
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39173650
N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878085
N-(1H-indazol-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 36561663
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55932752
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 N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 55480535) is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is JSPHKQRRFGPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-11-6-7-12(8-13(11)18(19,20)21)22-16(24)9-23-14-4-2-3-5-15(14)26-10-17(23)25/h2-8H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 380.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 55480535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).