4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

C21H21N3O3S — CID 55669637

IUPAC4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-14-3-8-18(15(2)13-14)27-11-9-19(25)23-17-6-4-16(5-7-17)20(26)24-21-22-10-12-28-21/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyJTQBNQIPPNQVOA-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.42
Rot. Bonds7

About 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 55669637) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID55669637
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3S/c1-14-3-8-18(15(2)13-14)27-11-9-19(25)23-17-6-4-16(5-7-17)20(26)24-21-22-10-12-28-21/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyJTQBNQIPPNQVOA-UHFFFAOYSA-N
XLogP4.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1090728
3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 39683094
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847
dimethyl 5-[3-(2,4-dimethylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 30839966
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 55775292
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 55669637) is 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(OCCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1.
What is the InChIKey of 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JTQBNQIPPNQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-3-8-18(15(2)13-14)27-11-9-19(25)23-17-6-4-16(5-7-17)20(26)24-21-22-10-12-28-21/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55669637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).