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

C17H15FN2O2S — CID 51195485

IUPACN-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1F
InChIInChI=1S/C17H15FN2O2S/c18-13-6-2-1-5-12(13)9-19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyNBVRFRITESLPTL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.58
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 51195485) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID51195485
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1F
InChIInChI=1S/C17H15FN2O2S/c18-13-6-2-1-5-12(13)9-19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyNBVRFRITESLPTL-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 51195485) is N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is NBVRFRITESLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-13-6-2-1-5-12(13)9-19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22/h1-8H,9-11H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 51195485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).