N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

C21H22N2O2S — CID 131929748

IUPACN-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1scnc1C
InChIInChI=1S/C21H22N2O2S/c1-16-8-6-7-11-19(16)25-14-21(24)23(12-18-9-4-3-5-10-18)13-20-17(2)22-15-26-20/h3-11,15H,12-14H2,1-2H3
InChIKeyTYHQSYYANBUKCM-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.37
Rot. Bonds7

About N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 131929748) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID131929748
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1scnc1C
InChIInChI=1S/C21H22N2O2S/c1-16-8-6-7-11-19(16)25-14-21(24)23(12-18-9-4-3-5-10-18)13-20-17(2)22-15-26-20/h3-11,15H,12-14H2,1-2H3
InChIKeyTYHQSYYANBUKCM-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
CID 74235505
2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 131945511
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 126441669
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide;formic acid
CID 154915759
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 2311637
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 131929748) is N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1scnc1C.
What is the InChIKey of N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is TYHQSYYANBUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-8-6-7-11-19(16)25-14-21(24)23(12-18-9-4-3-5-10-18)13-20-17(2)22-15-26-20/h3-11,15H,12-14H2,1-2H3.
What are the key properties of N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 131929748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).