N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide

C19H19ClN2O3S — CID 34262166

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccc(Cl)cc1C)c1nc2ccccc2s1
InChIInChI=1S/C19H19ClN2O3S/c1-13-11-14(20)7-8-16(13)25-12-18(23)22(9-10-24-2)19-21-15-5-3-4-6-17(15)26-19/h3-8,11H,9-10,12H2,1-2H3
InChIKeyBZUQVAHEDISKNV-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.32
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 34262166) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID34262166
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccc(Cl)cc1C)c1nc2ccccc2s1
InChIInChI=1S/C19H19ClN2O3S/c1-13-11-14(20)7-8-16(13)25-12-18(23)22(9-10-24-2)19-21-15-5-3-4-6-17(15)26-19/h3-8,11H,9-10,12H2,1-2H3
InChIKeyBZUQVAHEDISKNV-UHFFFAOYSA-N
XLogP4.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 55580882
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44925467
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44925028
N-[2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55871506
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41346063
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 43959509
(1R)-N-(1,3-benzothiazol-2-yl)-2,2-dichloro-N-(2-methoxyethyl)-1-methylcyclopropane-1-carboxamide
CID 30797762
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 34261879
N-(1,3-benzothiazol-2-yl)-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methoxyethyl)acetamide
CID 55546116

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide (CID 34262166) is N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)COc1ccc(Cl)cc1C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is BZUQVAHEDISKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-13-11-14(20)7-8-16(13)25-12-18(23)22(9-10-24-2)19-21-15-5-3-4-6-17(15)26-19/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 390.89 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 34262166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).