2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C24H28ClN3O3S — CID 29070577

IUPAC2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCc1ccc2nc(N(CCCN3CCOCC3)C(=O)COc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C24H28ClN3O3S/c1-2-18-4-9-21-22(16-18)32-24(26-21)28(11-3-10-27-12-14-30-15-13-27)23(29)17-31-20-7-5-19(25)6-8-20/h4-9,16H,2-3,10-15,17H2,1H3
InChIKeyKZHWVGYMKGBIDV-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.65
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 29070577) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID29070577
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCc1ccc2nc(N(CCCN3CCOCC3)C(=O)COc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C24H28ClN3O3S/c1-2-18-4-9-21-22(16-18)32-24(26-21)28(11-3-10-27-12-14-30-15-13-27)23(29)17-31-20-7-5-19(25)6-8-20/h4-9,16H,2-3,10-15,17H2,1H3
InChIKeyKZHWVGYMKGBIDV-UHFFFAOYSA-N
XLogP4.65
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137821
4-ethoxy-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070618
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 18583302
2-(4-ethoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715450
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44991468
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997222
4-benzoyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998855
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997307
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997703
2-(4-ethoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715447
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44899699
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 29070577) is 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is CCc1ccc2nc(N(CCCN3CCOCC3)C(=O)COc3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is KZHWVGYMKGBIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-2-18-4-9-21-22(16-18)32-24(26-21)28(11-3-10-27-12-14-30-15-13-27)23(29)17-31-20-7-5-19(25)6-8-20/h4-9,16H,2-3,10-15,17H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 474.03 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 29070577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).