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

C18H18N2O4S — CID 19214374

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccc(OC)cc3)nc12
InChIInChI=1S/C18H18N2O4S/c1-3-23-14-5-4-6-15-17(14)20-18(25-15)19-16(21)11-24-13-9-7-12(22-2)8-10-13/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyNTVBAWQVIAJGFD-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.72
Rot. Bonds7

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

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 19214374) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID19214374
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccc(OC)cc3)nc12
InChIInChI=1S/C18H18N2O4S/c1-3-23-14-5-4-6-15-17(14)20-18(25-15)19-16(21)11-24-13-9-7-12(22-2)8-10-13/h4-10H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyNTVBAWQVIAJGFD-UHFFFAOYSA-N
XLogP3.72
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
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
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 19214352
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 19214374) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is CCOc1cccc2sc(NC(=O)COc3ccc(OC)cc3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is NTVBAWQVIAJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-23-14-5-4-6-15-17(14)20-18(25-15)19-16(21)11-24-13-9-7-12(22-2)8-10-13/h4-10H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 19214374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).