2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide

C17H15BrN2O3S — CID 23905261

IUPAC2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1Sc2ccc(Br)cc2NC1=O
InChIInChI=1S/C17H15BrN2O3S/c1-23-13-5-3-2-4-11(13)19-16(21)9-15-17(22)20-12-8-10(18)6-7-14(12)24-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeySVFGULKJZZJXRT-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.90
Rot. Bonds4

About 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide

2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 23905261) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID23905261
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1Sc2ccc(Br)cc2NC1=O
InChIInChI=1S/C17H15BrN2O3S/c1-23-13-5-3-2-4-11(13)19-16(21)9-15-17(22)20-12-8-10(18)6-7-14(12)24-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeySVFGULKJZZJXRT-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1112331
N-(2-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 2859533
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 23935855
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-[2,5-dimethoxy-4-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]phenyl]benzamide
CID 41071626
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55434606
N-(2,4-dimethoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 2945465

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide (CID 23905261) is 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CC1Sc2ccc(Br)cc2NC1=O.
What is the InChIKey of 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is SVFGULKJZZJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-23-13-5-3-2-4-11(13)19-16(21)9-15-17(22)20-12-8-10(18)6-7-14(12)24-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide?
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 407.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 23905261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).