2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C18H18N2O3S — CID 8719441

IUPAC2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-23-13-6-4-12(5-7-13)10-17(21)20-18-19-15-9-8-14(22-2)11-16(15)24-18/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyZIFSONWQFXLWAD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8719441) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID8719441
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-23-13-6-4-12(5-7-13)10-17(21)20-18-19-15-9-8-14(22-2)11-16(15)24-18/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyZIFSONWQFXLWAD-UHFFFAOYSA-N
XLogP3.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 8719441) is 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc(CC(=O)Nc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZIFSONWQFXLWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-13-6-4-12(5-7-13)10-17(21)20-18-19-15-9-8-14(22-2)11-16(15)24-18/h4-9,11H,3,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8719441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).