N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

C17H16N2O3S — CID 4126701

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccccc3)nc12
InChIInChI=1S/C17H16N2O3S/c1-2-21-13-9-6-10-14-16(13)19-17(23-14)18-15(20)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyFNXCIAZNKAJVSC-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.71
Rot. Bonds6

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (PubChem CID 4126701) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
PubChem CID4126701
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccccc3)nc12
InChIInChI=1S/C17H16N2O3S/c1-2-21-13-9-6-10-14-16(13)19-17(23-14)18-15(20)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyFNXCIAZNKAJVSC-UHFFFAOYSA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 19214352
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (CID 4126701) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is CCOc1cccc2sc(NC(=O)COc3ccccc3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is FNXCIAZNKAJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-21-13-9-6-10-14-16(13)19-17(23-14)18-15(20)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,20).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 328.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 4126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).