4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C16H19N3O3S — CID 155541359

IUPAC4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)7-4-8-22-14-6-3-5-13(9-14)18-12(2)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyPRRSXFFYYYFLAT-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.21
Rot. Bonds7

About 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155541359) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155541359
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)7-4-8-22-14-6-3-5-13(9-14)18-12(2)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyPRRSXFFYYYFLAT-UHFFFAOYSA-N
XLogP3.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide 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

5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068639
N-(3-((2-Chloro-5-thiazolyl)methoxy)phenyl)acetamide
CID 2764068
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(3,4-dimethoxyphenyl)acetamide
CID 163368442
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
N-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1484583
2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155336
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205574
N''-(3-methoxyphenyl)-N''-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-N-(2-thiazolyl)butanediamide
CID 3205683
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5197182

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155541359) is 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CC(=O)Nc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is PRRSXFFYYYFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)7-4-8-22-14-6-3-5-13(9-14)18-12(2)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 333.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155541359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).