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

C18H15F3N2O2S — CID 2873842

IUPACN-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)12-6-7-14-13(8-12)23-17(25)15(26-14)9-16(24)22-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,24)(H,23,25)
InChIKeyIRNKLBMXVNPUGE-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.82
Rot. Bonds4

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

N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 2873842) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID2873842
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)12-6-7-14-13(8-12)23-17(25)15(26-14)9-16(24)22-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,24)(H,23,25)
InChIKeyIRNKLBMXVNPUGE-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (CID 2873842) is N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is O=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is IRNKLBMXVNPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c19-18(20,21)12-6-7-14-13(8-12)23-17(25)15(26-14)9-16(24)22-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 380.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 2873842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).