2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide

C18H22N2O4S — CID 166256774

IUPAC2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide
SMILESC=CC1(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CCCCC1
InChIInChI=1S/C18H22N2O4S/c1-2-18(8-4-3-5-9-18)11-16(21)19-13-6-7-14-15(10-13)25(23,24)12-17(22)20-14/h2,6-7,10H,1,3-5,8-9,11-12H2,(H,19,21)(H,20,22)
InChIKeyZXYNKTQOGFMDAV-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.88
Rot. Bonds4

About 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide

2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide (PubChem CID 166256774) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide
PubChem CID166256774
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide
SMILESC=CC1(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CCCCC1
InChIInChI=1S/C18H22N2O4S/c1-2-18(8-4-3-5-9-18)11-16(21)19-13-6-7-14-15(10-13)25(23,24)12-17(22)20-14/h2,6-7,10H,1,3-5,8-9,11-12H2,(H,19,21)(H,20,22)
InChIKeyZXYNKTQOGFMDAV-UHFFFAOYSA-N
XLogP2.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide 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

2,3,3,3-tetrafluoro-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)propanamide
CID 138056946
2-bromo-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)thiophene-3-carboxamide
CID 154848375
1,1,3-trioxo-4H-1λ6,4-benzothiazine-7-carboxylic acid
CID 83824898
4-methyl-2-phenyl-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)pyrrolidine-1-carboxamide
CID 167925519
6-(methylamino)-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 59150138
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 121239655
N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
CID 166410659
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
2-(1-hydroxycyclohexyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 111432174
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide?
The IUPAC name of 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide (CID 166256774) is 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide.
What is the SMILES notation for 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide?
The canonical SMILES for 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide is C=CC1(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CCCCC1.
What is the InChIKey of 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide?
The InChIKey is ZXYNKTQOGFMDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-18(8-4-3-5-9-18)11-16(21)19-13-6-7-14-15(10-13)25(23,24)12-17(22)20-14/h2,6-7,10H,1,3-5,8-9,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide?
2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclohexyl)-N-(1,1,3-trioxo-4H-1λ6,4-benzothiazin-7-yl)acetamide is sourced from PubChem (CID 166256774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).