N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C17H15BrN2O3S — CID 23935855

IUPACN-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(Br)cc1)S2
InChIInChI=1S/C17H15BrN2O3S/c1-23-12-6-7-14-13(8-12)20-17(22)15(24-14)9-16(21)19-11-4-2-10(18)3-5-11/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyHZAPDHNRONPFME-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.90
Rot. Bonds4

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

N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 23935855) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID23935855
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC NameN-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(Br)cc1)S2
InChIInChI=1S/C17H15BrN2O3S/c1-23-12-6-7-14-13(8-12)20-17(22)15(24-14)9-16(21)19-11-4-2-10(18)3-5-11/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyHZAPDHNRONPFME-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-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
[4-[[2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]phenyl] acetate
CID 1073064
N-(2,4-dimethoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 2945465
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-(4-acetamidophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1093113
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7300483
N-[4-(difluoromethoxy)phenyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 2912698
3-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid
CID 84640451
N-(4-bromophenyl)-2-[(2Z)-2-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135706525
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 23935855) is N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is COc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(Br)cc1)S2.
What is the InChIKey of N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is HZAPDHNRONPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-23-12-6-7-14-13(8-12)20-17(22)15(24-14)9-16(21)19-11-4-2-10(18)3-5-11/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)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 N-(4-bromophenyl)-2-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 23935855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).