N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide

C21H19N3O4S — CID 4826568

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)COc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C21H19N3O4S/c1-13(25)16-4-3-5-18(10-16)28-11-20(27)24-21-23-19(12-29-21)15-6-8-17(9-7-15)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyUYYXATYDNNJCDK-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.99
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide (PubChem CID 4826568) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
PubChem CID4826568
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)COc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C21H19N3O4S/c1-13(25)16-4-3-5-18(10-16)28-11-20(27)24-21-23-19(12-29-21)15-6-8-17(9-7-15)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyUYYXATYDNNJCDK-UHFFFAOYSA-N
XLogP3.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
2-(3-acetylphenoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2671831
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 18278481
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247
2-(3-acetylphenoxy)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24573065
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 110492871
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide (CID 4826568) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)COc3cccc(C(C)=O)c3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide?
The InChIKey is UYYXATYDNNJCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13(25)16-4-3-5-18(10-16)28-11-20(27)24-21-23-19(12-29-21)15-6-8-17(9-7-15)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide has a molecular weight of 409.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide is sourced from PubChem (CID 4826568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).