N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide

C22H23N3O3S — CID 46299919

IUPACN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3S/c1-13-8-10-17(11-9-13)20-21(23-16(4)26)29-22(25-20)24-19(27)12-28-18-7-5-6-14(2)15(18)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,25,27)
InChIKeyVJEUYSVXGSLFMP-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.71
Rot. Bonds6

About N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide

N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 46299919) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID46299919
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3S/c1-13-8-10-17(11-9-13)20-21(23-16(4)26)29-22(25-20)24-19(27)12-28-18-7-5-6-14(2)15(18)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,25,27)
InChIKeyVJEUYSVXGSLFMP-UHFFFAOYSA-N
XLogP4.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 19227971
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347610
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770
2-(2,3-dimethylphenoxy)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 5020803
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 46299919) is N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide is CC(=O)Nc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is VJEUYSVXGSLFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13-8-10-17(11-9-13)20-21(23-16(4)26)29-22(25-20)24-19(27)12-28-18-7-5-6-14(2)15(18)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 409.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 46299919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).