N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C16H13BrN2O2S — CID 18195793

IUPACN-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C16H13BrN2O2S/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyXWMQYUYAHJNOCQ-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.53
Rot. Bonds3

About N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18195793) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18195793
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1Br
InChIInChI=1S/C16H13BrN2O2S/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyXWMQYUYAHJNOCQ-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39166500
N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30692312
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196164
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378
N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]acetamide
CID 17439537
N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 56514862
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30885056
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18195793) is N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is XWMQYUYAHJNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c17-11-5-1-2-6-12(11)18-15(20)9-19-13-7-3-4-8-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 377.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18195793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).