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

C17H22N2O2S — CID 3239253

IUPACN-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C17H22N2O2S/c1-2-19-14-10-12(8-9-15(14)22-11-16(19)20)17(21)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,21)
InChIKeyQOSFXQLOPHHNRI-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.21
Rot. Bonds3

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

N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 3239253) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID3239253
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C17H22N2O2S/c1-2-19-14-10-12(8-9-15(14)22-11-16(19)20)17(21)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,21)
InChIKeyQOSFXQLOPHHNRI-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-ethyl-3-oxo-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide (CID 3239253) is N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide is CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is QOSFXQLOPHHNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-19-14-10-12(8-9-15(14)22-11-16(19)20)17(21)18-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide?
N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3239253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).