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

C18H17FN2O2S — CID 32757789

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C18H17FN2O2S/c1-20(10-13-6-2-3-7-14(13)19)17(22)11-21-15-8-4-5-9-16(15)24-12-18(21)23/h2-9H,10-12H2,1H3
InChIKeyVCFUPPKUGWQDTN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.92
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 32757789) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID32757789
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C18H17FN2O2S/c1-20(10-13-6-2-3-7-14(13)19)17(22)11-21-15-8-4-5-9-16(15)24-12-18(21)23/h2-9H,10-12H2,1H3
InChIKeyVCFUPPKUGWQDTN-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115840
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 17438535
3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51195485
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 38881217
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 52572827
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
CID 51199440
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673524
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18164909

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 32757789) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is CN(Cc1ccccc1F)C(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is VCFUPPKUGWQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-20(10-13-6-2-3-7-14(13)19)17(22)11-21-15-8-4-5-9-16(15)24-12-18(21)23/h2-9H,10-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 32757789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).