2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide

C21H26N2O3S — CID 139909373

IUPAC2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide
SMILESCCOC(C)(C(N)=O)c1ccc(OCCN2CCSc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-26-21(2,20(22)24)16-8-10-17(11-9-16)25-14-12-23-13-15-27-19-7-5-4-6-18(19)23/h4-11H,3,12-15H2,1-2H3,(H2,22,24)
InChIKeyLOOADGWDBPODEM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide

2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide (PubChem CID 139909373) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide
PubChem CID139909373
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide
SMILESCCOC(C)(C(N)=O)c1ccc(OCCN2CCSc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-26-21(2,20(22)24)16-8-10-17(11-9-16)25-14-12-23-13-15-27-19-7-5-4-6-18(19)23/h4-11H,3,12-15H2,1-2H3,(H2,22,24)
InChIKeyLOOADGWDBPODEM-UHFFFAOYSA-N
XLogP3.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide 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

4-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-3-ethoxybutan-2-one
CID 21036293
methyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoate
CID 22593921
2-ethoxy-2-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid
CID 142159585
[2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl] 2-ethoxypropanoate
CID 70038415
3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-1-ethoxypropan-1-ol
CID 68885105
3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid;N-methyl-1-phenylmethanamine
CID 70118087
N-benzyl-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methylpropanamide
CID 20671856
5-[[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22118748
6-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]naphthalene-1-carbaldehyde
CID 22593934
N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 36923717
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
CID 90141343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide?
The IUPAC name of 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide (CID 139909373) is 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide.
What is the SMILES notation for 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide?
The canonical SMILES for 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide is CCOC(C)(C(N)=O)c1ccc(OCCN2CCSc3ccccc32)cc1.
What is the InChIKey of 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide?
The InChIKey is LOOADGWDBPODEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-26-21(2,20(22)24)16-8-10-17(11-9-16)25-14-12-23-13-15-27-19-7-5-4-6-18(19)23/h4-11H,3,12-15H2,1-2H3,(H2,22,24).
What are the key properties of 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide?
2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide has a molecular weight of 386.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide is sourced from PubChem (CID 139909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).