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

C17H17ClN2OS — CID 46258738

IUPACN-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C17H17ClN2OS/c1-2-20-9-10-22-16-8-7-12(11-15(16)20)17(21)19-14-6-4-3-5-13(14)18/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyKKYWMFKGLFXMRH-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.52
Rot. Bonds3

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

N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 46258738) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID46258738
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC NameN-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C17H17ClN2OS/c1-2-20-9-10-22-16-8-7-12(11-15(16)20)17(21)19-14-6-4-3-5-13(14)18/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyKKYWMFKGLFXMRH-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258743
N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258721
4-ethyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876387
4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6620033
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
4-[2-(2-chloroanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777167
4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252
N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
N-(2-chlorophenyl)-1-methylindole-5-carboxamide
CID 112520448
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 46258738) is N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CCN1CCSc2ccc(C(=O)Nc3ccccc3Cl)cc21.
What is the InChIKey of N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is KKYWMFKGLFXMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-2-20-9-10-22-16-8-7-12(11-15(16)20)17(21)19-14-6-4-3-5-13(14)18/h3-8,11H,2,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 332.86 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46258738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).