2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C21H20N2O4S — CID 90626142

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1-c1csc(C)n1
InChIInChI=1S/C21H20N2O4S/c1-13(24)15-8-9-19(20(10-15)26-3)27-11-21(25)23-17-7-5-4-6-16(17)18-12-28-14(2)22-18/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyKKZKKZUUCKLYAG-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.35
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 90626142) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID90626142
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1-c1csc(C)n1
InChIInChI=1S/C21H20N2O4S/c1-13(24)15-8-9-19(20(10-15)26-3)27-11-21(25)23-17-7-5-4-6-16(17)18-12-28-14(2)22-18/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyKKZKKZUUCKLYAG-UHFFFAOYSA-N
XLogP4.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626166
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568218
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
dimethyl (E)-2-[2-(2-methyl-1,3-thiazol-4-yl)anilino]but-2-enedioate
CID 168569919
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148642
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 90626142) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1-c1csc(C)n1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is KKZKKZUUCKLYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-13(24)15-8-9-19(20(10-15)26-3)27-11-21(25)23-17-7-5-4-6-16(17)18-12-28-14(2)22-18/h4-10,12H,11H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 90626142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).