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

C18H18N2O3S — CID 35875238

IUPAC2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)c1
InChIInChI=1S/C18H18N2O3S/c1-11-3-5-15(12(2)7-11)23-9-17(21)19-13-4-6-16-14(8-13)20-18(22)10-24-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWNRQMYZLZQTOMS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.37
Rot. Bonds4

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

2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 35875238) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID35875238
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)c1
InChIInChI=1S/C18H18N2O3S/c1-11-3-5-15(12(2)7-11)23-9-17(21)19-13-4-6-16-14(8-13)20-18(22)10-24-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWNRQMYZLZQTOMS-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 39641384
3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 62837216
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79286230
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 35875238) is 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is WNRQMYZLZQTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-3-5-15(12(2)7-11)23-9-17(21)19-13-4-6-16-14(8-13)20-18(22)10-24-16/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 35875238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).