2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C18H16N2O3S — CID 2701448

IUPAC2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C18H16N2O3S/c1-11-6-7-15-16(8-11)24-18(19-15)20-17(22)10-23-14-5-3-4-13(9-14)12(2)21/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyAWQMLXMNCMYAPM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2701448) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2701448
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C18H16N2O3S/c1-11-6-7-15-16(8-11)24-18(19-15)20-17(22)10-23-14-5-3-4-13(9-14)12(2)21/h3-9H,10H2,1-2H3,(H,19,20,22)
InChIKeyAWQMLXMNCMYAPM-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18870050
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43952170
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
2-(3-acetylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673036
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2547257
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 23742164
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 2701448) is 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)c1cccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is AWQMLXMNCMYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-6-7-15-16(8-11)24-18(19-15)20-17(22)10-23-14-5-3-4-13(9-14)12(2)21/h3-9H,10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2701448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).