2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide

C21H19N3O4S2 — CID 55694116

IUPAC2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1
InChIInChI=1S/C21H19N3O4S2/c1-12-22-20-17(30-12)9-16(15-6-7-29-21(15)20)28-11-19(26)24-14-5-3-4-13(8-14)23-18(25)10-27-2/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXZFSZJGLKMGPJL-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.42
Rot. Bonds7

About 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide

2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide (PubChem CID 55694116) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
PubChem CID55694116
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1
InChIInChI=1S/C21H19N3O4S2/c1-12-22-20-17(30-12)9-16(15-6-7-29-21(15)20)28-11-19(26)24-14-5-3-4-13(8-14)23-18(25)10-27-2/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXZFSZJGLKMGPJL-UHFFFAOYSA-N
XLogP4.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]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-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 55989911
N-(5-acetamido-2-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55706842
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 51173449
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4786981
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
CID 46489302
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
CID 56570758
5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
N-[1-(1-adamantyl)ethyl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 4999283

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide (CID 55694116) is 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide is COCC(=O)Nc1cccc(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1.
What is the InChIKey of 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide?
The InChIKey is XZFSZJGLKMGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-12-22-20-17(30-12)9-16(15-6-7-29-21(15)20)28-11-19(26)24-14-5-3-4-13(8-14)23-18(25)10-27-2/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide?
2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide is sourced from PubChem (CID 55694116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).