2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide

C19H18N2O3S — CID 25494031

IUPAC2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-13(22)14-5-4-6-15(11-14)24-12-18(23)20-10-9-19-21-16-7-2-3-8-17(16)25-19/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyZLUGBDOUXUIHHL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.24
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide

2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 25494031) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID25494031
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-13(22)14-5-4-6-15(11-14)24-12-18(23)20-10-9-19-21-16-7-2-3-8-17(16)25-19/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyZLUGBDOUXUIHHL-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 78810551
[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8840769
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
3-(1,3-benzothiazol-2-yl)-N'-[2-(3,4-dimethylphenoxy)acetyl]propanehydrazide
CID 27569374
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 29361749
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
CID 78832241

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide (CID 25494031) is 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide is CC(=O)c1cccc(OCC(=O)NCCc2nc3ccccc3s2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is ZLUGBDOUXUIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13(22)14-5-4-6-15(11-14)24-12-18(23)20-10-9-19-21-16-7-2-3-8-17(16)25-19/h2-8,11H,9-10,12H2,1H3,(H,20,23).
What are the key properties of 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 25494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).