N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

C19H22N2O2S — CID 46352663

IUPACN-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CC(C)Sc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-23-16-10-8-15(9-11-16)20-19(22)13-21-12-14(2)24-18-7-5-4-6-17(18)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyLPHOMQOWVJISDE-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.02
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (PubChem CID 46352663) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
PubChem CID46352663
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CC(C)Sc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-23-16-10-8-15(9-11-16)20-19(22)13-21-12-14(2)24-18-7-5-4-6-17(18)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyLPHOMQOWVJISDE-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907192
N-(4-ethoxyphenyl)-2-(3-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78900025
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352636
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-(2,3-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875258
N-(2,4-dimethylphenyl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875277

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (CID 46352663) is N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is CCOc1ccc(NC(=O)CN2CC(C)Sc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is LPHOMQOWVJISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-23-16-10-8-15(9-11-16)20-19(22)13-21-12-14(2)24-18-7-5-4-6-17(18)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 46352663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).