N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide

C27H24N2O4S — CID 118716727

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(C)cc4)cc3C)n2)cc1
InChIInChI=1S/C27H24N2O4S/c1-17-4-6-20(7-5-17)26(31)21-10-13-24(18(2)14-21)33-15-25(30)29-27-28-23(16-34-27)19-8-11-22(32-3)12-9-19/h4-14,16H,15H2,1-3H3,(H,28,29,30)
InChIKeyYCHJYKISPPBASI-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.68
Rot. Bonds8

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide (PubChem CID 118716727) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
PubChem CID118716727
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(C)cc4)cc3C)n2)cc1
InChIInChI=1S/C27H24N2O4S/c1-17-4-6-20(7-5-17)26(31)21-10-13-24(18(2)14-21)33-15-25(30)29-27-28-23(16-34-27)19-8-11-22(32-3)12-9-19/h4-14,16H,15H2,1-3H3,(H,28,29,30)
InChIKeyYCHJYKISPPBASI-UHFFFAOYSA-N
XLogP5.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 23799741
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 126537956
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide (CID 118716727) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc(C(=O)c4ccc(C)cc4)cc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide?
The InChIKey is YCHJYKISPPBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-17-4-6-20(7-5-17)26(31)21-10-13-24(18(2)14-21)33-15-25(30)29-27-28-23(16-34-27)19-8-11-22(32-3)12-9-19/h4-14,16H,15H2,1-3H3,(H,28,29,30).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide has a molecular weight of 472.57 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide is sourced from PubChem (CID 118716727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).