4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide

C28H26N2O3S — CID 126210782

IUPAC4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCOc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(C)cc3C)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-18-9-14-23(19(2)17-18)24(31)15-16-25(32)29-28-30-26(20-7-5-4-6-8-20)27(34-28)21-10-12-22(33-3)13-11-21/h4-14,17H,15-16H2,1-3H3,(H,29,30,32)
InChIKeyAEBBKQAVAIZKOK-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.70
Rot. Bonds8

About 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide

4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide (PubChem CID 126210782) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
PubChem CID126210782
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCOc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(C)cc3C)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-18-9-14-23(19(2)17-18)24(31)15-16-25(32)29-28-30-26(20-7-5-4-6-8-20)27(34-28)21-10-12-22(33-3)13-11-21/h4-14,17H,15-16H2,1-3H3,(H,29,30,32)
InChIKeyAEBBKQAVAIZKOK-UHFFFAOYSA-N
XLogP6.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide with MolForge

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Related Compounds

N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
CID 94324381
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide (CID 126210782) is 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide is COc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(C)cc3C)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The InChIKey is AEBBKQAVAIZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-18-9-14-23(19(2)17-18)24(31)15-16-25(32)29-28-30-26(20-7-5-4-6-8-20)27(34-28)21-10-12-22(33-3)13-11-21/h4-14,17H,15-16H2,1-3H3,(H,29,30,32).
What are the key properties of 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide has a molecular weight of 470.59 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 126210782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).