4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

C22H22N2O2S — CID 55842691

IUPAC4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H22N2O2S/c1-15-8-9-16(2)18(12-15)20(25)10-11-21(26)23-13-22-24-19(14-27-22)17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)
InChIKeyLEGHLDCAAOFZRC-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.71
Rot. Bonds7

About 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 55842691) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID55842691
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H22N2O2S/c1-15-8-9-16(2)18(12-15)20(25)10-11-21(26)23-13-22-24-19(14-27-22)17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)
InChIKeyLEGHLDCAAOFZRC-UHFFFAOYSA-N
XLogP4.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide with MolForge

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Related Compounds

4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 60510774
N'-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617300
N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303
N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 18105244
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767867
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 119628325
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55841538

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (CID 55842691) is 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is LEGHLDCAAOFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-8-9-16(2)18(12-15)20(25)10-11-21(26)23-13-22-24-19(14-27-22)17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 378.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 55842691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).