N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide

C21H21ClN2O3S — CID 7518044

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C21H21ClN2O3S/c1-14-19(28-21(24-14)15-7-9-16(22)10-8-15)11-12-23-20(25)13-27-18-6-4-3-5-17(18)26-2/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyWNTXVTUPJADLTD-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.52
Rot. Bonds8

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 7518044) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID7518044
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C21H21ClN2O3S/c1-14-19(28-21(24-14)15-7-9-16(22)10-8-15)11-12-23-20(25)13-27-18-6-4-3-5-17(18)26-2/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyWNTXVTUPJADLTD-UHFFFAOYSA-N
XLogP4.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
CID 7503044
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 7518001
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4,5-triethoxybenzamide
CID 20965668
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395441
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 20965674
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 7518044) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WNTXVTUPJADLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-14-19(28-21(24-14)15-7-9-16(22)10-8-15)11-12-23-20(25)13-27-18-6-4-3-5-17(18)26-2/h3-10H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 416.93 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7518044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).