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

C18H18N2O3S — CID 19217838

IUPAC2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)COc3c(C)cccc3C)nc12
InChIInChI=1S/C18H18N2O3S/c1-11-6-4-7-12(2)17(11)23-10-15(21)19-18-20-16-13(22-3)8-5-9-14(16)24-18/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyZGBMHROOFJFQSN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.94
Rot. Bonds5

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

2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 19217838) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID19217838
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)COc3c(C)cccc3C)nc12
InChIInChI=1S/C18H18N2O3S/c1-11-6-4-7-12(2)17(11)23-10-15(21)19-18-20-16-13(22-3)8-5-9-14(16)24-18/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyZGBMHROOFJFQSN-UHFFFAOYSA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277
2-(4-bromo-2-tert-butylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218074
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 17177227

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 19217838) is 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1cccc2sc(NC(=O)COc3c(C)cccc3C)nc12.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZGBMHROOFJFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-6-4-7-12(2)17(11)23-10-15(21)19-18-20-16-13(22-3)8-5-9-14(16)24-18/h4-9H,10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 19217838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).