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

C16H12Br2N2O2S — CID 39166500

IUPACN-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H12Br2N2O2S/c17-10-5-6-11(18)12(7-10)19-15(21)8-20-13-3-1-2-4-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21)
InChIKeyVSOJFZOREGTFSI-UHFFFAOYSA-N
MW456.16 g/mol
LogP4.29
Rot. Bonds3

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

N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 39166500) has the molecular formula C16H12Br2N2O2S and a molecular weight of 456.16 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID39166500
Molecular FormulaC16H12Br2N2O2S
Molecular Weight456.16 g/mol
Exact Mass453.90
IUPAC NameN-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H12Br2N2O2S/c17-10-5-6-11(18)12(7-10)19-15(21)8-20-13-3-1-2-4-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21)
InChIKeyVSOJFZOREGTFSI-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.16
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30692312
N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]acetamide
CID 17439537
N-(4-bromo-2-chlorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563148
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196164
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
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
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 39166500) is N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is VSOJFZOREGTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O2S/c17-10-5-6-11(18)12(7-10)19-15(21)8-20-13-3-1-2-4-14(13)23-9-16(20)22/h1-7H,8-9H2,(H,19,21).
What are the key properties of N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 456.16 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 39166500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).