N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide

C26H22N2O2S — CID 108748072

IUPACN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C26H22N2O2S/c1-18-7-5-6-10-22(18)26-28-23(17-31-26)19-11-13-21(14-12-19)27-25(30)16-15-24(29)20-8-3-2-4-9-20/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyIIDVZEXIYDJMKJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.39
Rot. Bonds7

About N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 108748072) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
PubChem CID108748072
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C26H22N2O2S/c1-18-7-5-6-10-22(18)26-28-23(17-31-26)19-11-13-21(14-12-19)27-25(30)16-15-24(29)20-8-3-2-4-9-20/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyIIDVZEXIYDJMKJ-UHFFFAOYSA-N
XLogP6.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
CID 108748009
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770065
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 108748108
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
CID 108770118
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide (CID 108748072) is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is IIDVZEXIYDJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-18-7-5-6-10-22(18)26-28-23(17-31-26)19-11-13-21(14-12-19)27-25(30)16-15-24(29)20-8-3-2-4-9-20/h2-14,17H,15-16H2,1H3,(H,27,30).
What are the key properties of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide?
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 426.54 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 108748072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).