N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H24N2O2S — CID 24632500

IUPACN-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12(2)23-16/h9-12,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyMXKXGMCQQVPTDM-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.91
Rot. Bonds3

About N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 24632500) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID24632500
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12(2)23-16/h9-12,14H,3-8H2,1-2H3,(H,19,21)
InChIKeyMXKXGMCQQVPTDM-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-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-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023523
2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119530696
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
(2R)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51942205
N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771581
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51156898
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24656018
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
(2R)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94031945
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 24632500) is N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MXKXGMCQQVPTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12(2)23-16/h9-12,14H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).