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

C18H17ClN2O2S — CID 4802566

IUPAC2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(C(=O)COc1ccccc1Cl)c1nc2c(C)cccc2s1
InChIInChI=1S/C18H17ClN2O2S/c1-3-21(16(22)11-23-14-9-5-4-8-13(14)19)18-20-17-12(2)7-6-10-15(17)24-18/h4-10H,3,11H2,1-2H3
InChIKeyBQWUCLAAUKMHCJ-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.69
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4802566) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID4802566
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(C(=O)COc1ccccc1Cl)c1nc2c(C)cccc2s1
InChIInChI=1S/C18H17ClN2O2S/c1-3-21(16(22)11-23-14-9-5-4-8-13(14)19)18-20-17-12(2)7-6-10-15(17)24-18/h4-10H,3,11H2,1-2H3
InChIKeyBQWUCLAAUKMHCJ-UHFFFAOYSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986700
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 43961403
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2-methylphenoxy)acetamide
CID 43961417
2-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41055322
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986709
N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2080070
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967151
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2-methylphenoxy)acetamide
CID 43961423
2-ethoxy-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 4782988
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966648
2-bromo-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4799193
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylbenzamide
CID 7511707

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 4802566) is 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is CCN(C(=O)COc1ccccc1Cl)c1nc2c(C)cccc2s1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BQWUCLAAUKMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-21(16(22)11-23-14-9-5-4-8-13(14)19)18-20-17-12(2)7-6-10-15(17)24-18/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.87 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4802566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).