2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide

C14H15F3N2O2S — CID 693717

IUPAC2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C14H15F3N2O2S/c1-7(2)18-12(20)6-11-13(21)19-9-5-8(14(15,16)17)3-4-10(9)22-11/h3-5,7,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyLIPSVNSGFIGETB-NSHDSACASA-N
MW332.35 g/mol
LogP3.03
Rot. Bonds3

About 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide

2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 693717) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide
PubChem CID693717
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C14H15F3N2O2S/c1-7(2)18-12(20)6-11-13(21)19-9-5-8(14(15,16)17)3-4-10(9)22-11/h3-5,7,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyLIPSVNSGFIGETB-NSHDSACASA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide (CID 693717) is 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O.
What is the InChIKey of 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is LIPSVNSGFIGETB-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-7(2)18-12(20)6-11-13(21)19-9-5-8(14(15,16)17)3-4-10(9)22-11/h3-5,7,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide?
2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 332.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 693717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).