2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone

C23H20N2O2S — CID 132528826

IUPAC2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2SC(Nc3ccccc3)=Nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-18-13-11-16(12-14-18)21(26)15-22-19-9-5-6-10-20(19)25-23(28-22)24-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyJHHVNXOXEZEWKW-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.86
Rot. Bonds5

About 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone

2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 132528826) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID132528826
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2SC(Nc3ccccc3)=Nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-18-13-11-16(12-14-18)21(26)15-22-19-9-5-6-10-20(19)25-23(28-22)24-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyJHHVNXOXEZEWKW-UHFFFAOYSA-N
XLogP5.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
2-(4-methoxyphenyl)-3H-indole-3-carbaldehyde
CID 174973415
4-methoxy-2-phenacylthiophen-3-one
CID 68629035
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone (CID 132528826) is 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CC2SC(Nc3ccccc3)=Nc3ccccc32)cc1.
What is the InChIKey of 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is JHHVNXOXEZEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-18-13-11-16(12-14-18)21(26)15-22-19-9-5-6-10-20(19)25-23(28-22)24-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,24,25).
What are the key properties of 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 388.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 132528826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).