2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

C18H17ClN2O2S — CID 108767849

IUPAC2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1
InChIInChI=1S/C18H17ClN2O2S/c1-3-12-4-7-15-16(9-12)24-18(20-15)21-17(22)10-23-13-5-6-14(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,20,21,22)
InChIKeySCARWFKVQCYLRG-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.84
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 108767849) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID108767849
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1
InChIInChI=1S/C18H17ClN2O2S/c1-3-12-4-7-15-16(9-12)24-18(20-15)21-17(22)10-23-13-5-6-14(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,20,21,22)
InChIKeySCARWFKVQCYLRG-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127421
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 108767849) is 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SCARWFKVQCYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-12-4-7-15-16(9-12)24-18(20-15)21-17(22)10-23-13-5-6-14(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 108767849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).