N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H15FN2O2S — CID 30688297

IUPACN-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H15FN2O2S/c1-11-6-7-12(18)8-13(11)19-16(21)9-20-14-4-2-3-5-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyLLBZFJYYHVNNDU-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 30688297) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID30688297
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H15FN2O2S/c1-11-6-7-12(18)8-13(11)19-16(21)9-20-14-4-2-3-5-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyLLBZFJYYHVNNDU-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30692312
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9208520
N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39166500
N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]acetamide
CID 17439537
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196164
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865580

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 30688297) is N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1ccc(F)cc1NC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is LLBZFJYYHVNNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-6-7-12(18)8-13(11)19-16(21)9-20-14-4-2-3-5-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 30688297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).