2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

C25H22N2O2S — CID 108748059

IUPAC2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2csc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C25H22N2O2S/c1-17-7-3-5-9-21(17)25-27-22(16-30-25)19-11-13-20(14-12-19)26-24(28)15-29-23-10-6-4-8-18(23)2/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyCSCHZEXQBNCXLB-UHFFFAOYSA-N
MW414.53 g/mol
LogP6.11
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 108748059) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID108748059
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC Name2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2csc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C25H22N2O2S/c1-17-7-3-5-9-21(17)25-27-22(16-30-25)19-11-13-20(14-12-19)26-24(28)15-29-23-10-6-4-8-18(23)2/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyCSCHZEXQBNCXLB-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
CID 108770118
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770065
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732601
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 108748059) is 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2csc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is CSCHZEXQBNCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-17-7-3-5-9-21(17)25-27-22(16-30-25)19-11-13-20(14-12-19)26-24(28)15-29-23-10-6-4-8-18(23)2/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 108748059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).