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

C17H15ClN2O3S — CID 19214384

IUPAC2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccccc3Cl)nc12
InChIInChI=1S/C17H15ClN2O3S/c1-2-22-13-8-5-9-14-16(13)20-17(24-14)19-15(21)10-23-12-7-4-3-6-11(12)18/h3-9H,2,10H2,1H3,(H,19,20,21)
InChIKeySNSFLSBJJRKAET-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.37
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 19214384) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID19214384
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(NC(=O)COc3ccccc3Cl)nc12
InChIInChI=1S/C17H15ClN2O3S/c1-2-22-13-8-5-9-14-16(13)20-17(24-14)19-15(21)10-23-12-7-4-3-6-11(12)18/h3-9H,2,10H2,1H3,(H,19,20,21)
InChIKeySNSFLSBJJRKAET-UHFFFAOYSA-N
XLogP4.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
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-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7924308
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 19214384) is 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1cccc2sc(NC(=O)COc3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SNSFLSBJJRKAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-2-22-13-8-5-9-14-16(13)20-17(24-14)19-15(21)10-23-12-7-4-3-6-11(12)18/h3-9H,2,10H2,1H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 19214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).