N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide

C26H30N2O4S — CID 55968768

IUPACN-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C26H30N2O4S/c1-19-9-11-22(12-10-19)32-17-25-27-21(18-33-25)14-26(29)28(16-23-7-5-13-31-23)15-20-6-3-4-8-24(20)30-2/h3-4,6,8-12,18,23H,5,7,13-17H2,1-2H3
InChIKeyPIJNILIWVOGLQA-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.79
Rot. Bonds10

About N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide

N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55968768) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID55968768
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C26H30N2O4S/c1-19-9-11-22(12-10-19)32-17-25-27-21(18-33-25)14-26(29)28(16-23-7-5-13-31-23)15-20-6-3-4-8-24(20)30-2/h3-4,6,8-12,18,23H,5,7,13-17H2,1-2H3
InChIKeyPIJNILIWVOGLQA-UHFFFAOYSA-N
XLogP4.79
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969151
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55967624
N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 55968895
N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52519504
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55763211
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55702056
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 55968768) is N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccccc1CN(CC1CCCO1)C(=O)Cc1csc(COc2ccc(C)cc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PIJNILIWVOGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19-9-11-22(12-10-19)32-17-25-27-21(18-33-25)14-26(29)28(16-23-7-5-13-31-23)15-20-6-3-4-8-24(20)30-2/h3-4,6,8-12,18,23H,5,7,13-17H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55968768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).