N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C20H20N2O2S — CID 36591038

IUPACN-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)cc1Cc1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-14-21-18(13-25-14)12-20(23)22-17-8-9-19(24-2)16(11-17)10-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyRRJOYNVRGBTUFK-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.23
Rot. Bonds6

About N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 36591038) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID36591038
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)cc1Cc1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-14-21-18(13-25-14)12-20(23)22-17-8-9-19(24-2)16(11-17)10-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyRRJOYNVRGBTUFK-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55719652
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
N-(3-benzyl-4-methoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 27038879
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 36591038) is N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2csc(C)n2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RRJOYNVRGBTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-21-18(13-25-14)12-20(23)22-17-8-9-19(24-2)16(11-17)10-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,22,23).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 36591038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).