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

C24H28N2O2S — CID 46266194

IUPAC2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(OCc2nc(CC(=O)NC(C)c3ccc(CC)cc3)cs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-18-6-10-20(11-7-18)17(3)25-23(27)14-21-16-29-24(26-21)15-28-22-12-8-19(5-2)9-13-22/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,27)
InChIKeyLEOXJZTWRDPYJV-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.27
Rot. Bonds9

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

2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 46266194) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID46266194
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(OCc2nc(CC(=O)NC(C)c3ccc(CC)cc3)cs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-4-18-6-10-20(11-7-18)17(3)25-23(27)14-21-16-29-24(26-21)15-28-22-12-8-19(5-2)9-13-22/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,27)
InChIKeyLEOXJZTWRDPYJV-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 110341861
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
(2S)-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119359348
methyl 3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 134041540
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572732

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 46266194) is 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(OCc2nc(CC(=O)NC(C)c3ccc(CC)cc3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is LEOXJZTWRDPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-4-18-6-10-20(11-7-18)17(3)25-23(27)14-21-16-29-24(26-21)15-28-22-12-8-19(5-2)9-13-22/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 408.57 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 46266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).