N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide

C22H24N2O3S — CID 46009187

IUPACN-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
SMILESCOCCN(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-26-13-12-24(22(25)14-18-8-4-2-5-9-18)15-19-17-28-21(23-19)16-27-20-10-6-3-7-11-20/h2-11,17H,12-16H2,1H3
InChIKeyJZADVBXSTFBTKV-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.94
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide

N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide (PubChem CID 46009187) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
PubChem CID46009187
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
SMILESCOCCN(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-26-13-12-24(22(25)14-18-8-4-2-5-9-18)15-19-17-28-21(23-19)16-27-20-10-6-3-7-11-20/h2-11,17H,12-16H2,1H3
InChIKeyJZADVBXSTFBTKV-UHFFFAOYSA-N
XLogP3.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 24714209
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 46008342
N-butan-2-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009312
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42837392
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylbenzamide
CID 42682532
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 42837303
3-bromo-N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009243

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide (CID 46009187) is N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide is COCCN(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The InChIKey is JZADVBXSTFBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-13-12-24(22(25)14-18-8-4-2-5-9-18)15-19-17-28-21(23-19)16-27-20-10-6-3-7-11-20/h2-11,17H,12-16H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide has a molecular weight of 396.51 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 46009187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).