N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide

C16H20N2O4S — CID 52810332

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-4-17(9-12(2)3)15(19)10-18-16(20)14-8-6-5-7-13(14)11-23(18,21)22/h5-8H,2,4,9-11H2,1,3H3
InChIKeyYVNOTAWNLLDYOP-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.40
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide (PubChem CID 52810332) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
PubChem CID52810332
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-4-17(9-12(2)3)15(19)10-18-16(20)14-8-6-5-7-13(14)11-23(18,21)22/h5-8H,2,4,9-11H2,1,3H3
InChIKeyYVNOTAWNLLDYOP-UHFFFAOYSA-N
XLogP1.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide (CID 52810332) is N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide is C=C(C)CN(CC)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide?
The InChIKey is YVNOTAWNLLDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-4-17(9-12(2)3)15(19)10-18-16(20)14-8-6-5-7-13(14)11-23(18,21)22/h5-8H,2,4,9-11H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide is sourced from PubChem (CID 52810332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).