N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C19H22N2OS — CID 46258743

IUPACN-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3cccc(C)c3C)cc21
InChIInChI=1S/C19H22N2OS/c1-4-21-10-11-23-18-9-8-15(12-17(18)21)19(22)20-16-7-5-6-13(2)14(16)3/h5-9,12H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyPHKVCGLUYVFDPO-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.49
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 46258743) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID46258743
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3cccc(C)c3C)cc21
InChIInChI=1S/C19H22N2OS/c1-4-21-10-11-23-18-9-8-15(12-17(18)21)19(22)20-16-7-5-6-13(2)14(16)3/h5-9,12H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyPHKVCGLUYVFDPO-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258738
N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258721
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777360
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 46258743) is N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CCN1CCSc2ccc(C(=O)Nc3cccc(C)c3C)cc21.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is PHKVCGLUYVFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-4-21-10-11-23-18-9-8-15(12-17(18)21)19(22)20-16-7-5-6-13(2)14(16)3/h5-9,12H,4,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46258743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).