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

C17H15BrN2O2S — CID 30692312

IUPACN-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)c(Br)c1
InChIInChI=1S/C17H15BrN2O2S/c1-11-6-7-13(12(18)8-11)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)
InChIKeyAZHCXWWLZLWDIZ-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.83
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 30692312) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID30692312
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)c(Br)c1
InChIInChI=1S/C17H15BrN2O2S/c1-11-6-7-13(12(18)8-11)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)
InChIKeyAZHCXWWLZLWDIZ-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
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-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
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-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921611
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 30692312) is N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is AZHCXWWLZLWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-11-6-7-13(12(18)8-11)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-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 391.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 30692312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).