N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide

C20H28N2O3S — CID 93165138

IUPACN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)COC
InChIInChI=1S/C20H28N2O3S/c1-6-16(4)22(20(23)12-24-5)10-17-13-26-19(21-17)11-25-18-8-14(2)7-15(3)9-18/h7-9,13,16H,6,10-12H2,1-5H3/t16-/m1/s1
InChIKeyPZDFJGIWBNQUEE-MRXNPFEDSA-N
MW376.52 g/mol
LogP4.11
Rot. Bonds9

About N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide

N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide (PubChem CID 93165138) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
PubChem CID93165138
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)COC
InChIInChI=1S/C20H28N2O3S/c1-6-16(4)22(20(23)12-24-5)10-17-13-26-19(21-17)11-25-18-8-14(2)7-15(3)9-18/h7-9,13,16H,6,10-12H2,1-5H3/t16-/m1/s1
InChIKeyPZDFJGIWBNQUEE-MRXNPFEDSA-N
XLogP4.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165112
N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165127
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165132
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-butan-2-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009312
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46008241
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165992
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
CID 93166027
N-[(2R)-butan-2-yl]-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 93165260
3-bromo-N-[(2S)-butan-2-yl]-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165281
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008214

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide (CID 93165138) is N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide is CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)COC.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is PZDFJGIWBNQUEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-6-16(4)22(20(23)12-24-5)10-17-13-26-19(21-17)11-25-18-8-14(2)7-15(3)9-18/h7-9,13,16H,6,10-12H2,1-5H3/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide?
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 376.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 93165138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).