N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide

C21H28N2O4S — CID 42836691

IUPACN-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CCCCC1
InChIInChI=1S/C21H28N2O4S/c1-26-14-21(25)23(18-5-3-2-4-6-18)11-16-7-9-19(10-8-16)27-13-20-22-17(12-24)15-28-20/h7-10,15,18,24H,2-6,11-14H2,1H3
InChIKeyVUUYBKWDBYHJMD-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.52
Rot. Bonds9

About N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide

N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide (PubChem CID 42836691) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide
PubChem CID42836691
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CCCCC1
InChIInChI=1S/C21H28N2O4S/c1-26-14-21(25)23(18-5-3-2-4-6-18)11-16-7-9-19(10-8-16)27-13-20-22-17(12-24)15-28-20/h7-10,15,18,24H,2-6,11-14H2,1H3
InChIKeyVUUYBKWDBYHJMD-UHFFFAOYSA-N
XLogP3.52
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide
CID 46006349
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
CID 42836695
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]-2-phenylacetamide
CID 42836795
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
N-cyclopentyl-2-methoxy-N-[[4-(oxolan-3-yloxy)phenyl]methyl]acetamide
CID 45239699
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165882
N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 24714431
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide (CID 42836691) is N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide is COCC(=O)N(Cc1ccc(OCc2nc(CO)cs2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide?
The InChIKey is VUUYBKWDBYHJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-26-14-21(25)23(18-5-3-2-4-6-18)11-16-7-9-19(10-8-16)27-13-20-22-17(12-24)15-28-20/h7-10,15,18,24H,2-6,11-14H2,1H3.
What are the key properties of N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide?
N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide has a molecular weight of 404.53 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 42836691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).