N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C23H22N2O3S — CID 16572732

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC(C)c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H22N2O3S/c1-15-7-9-19(10-8-15)27-13-23-25-18(14-29-23)12-22(26)24-16(2)21-11-17-5-3-4-6-20(17)28-21/h3-11,14,16H,12-13H2,1-2H3,(H,24,26)
InChIKeyHYZWNDXVIUJCSL-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.20
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16572732) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16572732
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC(C)c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H22N2O3S/c1-15-7-9-19(10-8-15)27-13-23-25-18(14-29-23)12-22(26)24-16(2)21-11-17-5-3-4-6-20(17)28-21/h3-11,14,16H,12-13H2,1-2H3,(H,24,26)
InChIKeyHYZWNDXVIUJCSL-UHFFFAOYSA-N
XLogP5.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]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

N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 110341861
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46266194
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 110313956
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31645035
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 26010132
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 16572732) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NC(C)c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is HYZWNDXVIUJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-15-7-9-19(10-8-15)27-13-23-25-18(14-29-23)12-22(26)24-16(2)21-11-17-5-3-4-6-20(17)28-21/h3-11,14,16H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).