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

C24H24Cl2N2O2S — CID 126210889

IUPACN-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O2S/c1-4-5-21-23(17-8-9-18(25)19(26)13-17)28-24(31-21)27-22(30)11-10-20(29)16-7-6-14(2)15(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,30)
InChIKeyJIEMJDZQTKIMPH-UHFFFAOYSA-N
MW475.44 g/mol
LogP7.29
Rot. Bonds8

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

N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 126210889) has the molecular formula C24H24Cl2N2O2S and a molecular weight of 475.44 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID126210889
Molecular FormulaC24H24Cl2N2O2S
Molecular Weight475.44 g/mol
Exact Mass474.09
IUPAC NameN-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O2S/c1-4-5-21-23(17-8-9-18(25)19(26)13-17)28-24(31-21)27-22(30)11-10-20(29)16-7-6-14(2)15(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,30)
InChIKeyJIEMJDZQTKIMPH-UHFFFAOYSA-N
XLogP7.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126213805
N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126210588
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108808019
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-(4-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 108738324
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 108796734

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 126210889) is N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is JIEMJDZQTKIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2S/c1-4-5-21-23(17-8-9-18(25)19(26)13-17)28-24(31-21)27-22(30)11-10-20(29)16-7-6-14(2)15(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,30).
What are the key properties of N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 475.44 g/mol, XLogP of 7.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 126210889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).