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

C26H22N2O2S — CID 108727454

IUPAC4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C26H22N2O2S/c1-18-7-9-20(10-8-18)24(29)15-16-25(30)27-22-13-11-19(12-14-22)23-17-31-26(28-23)21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyBCUZJYZZNAOCIU-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.39
Rot. Bonds7

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

4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108727454) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108727454
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C26H22N2O2S/c1-18-7-9-20(10-8-18)24(29)15-16-25(30)27-22-13-11-19(12-14-22)23-17-31-26(28-23)21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyBCUZJYZZNAOCIU-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

4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108727454) is 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is BCUZJYZZNAOCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-18-7-9-20(10-8-18)24(29)15-16-25(30)27-22-13-11-19(12-14-22)23-17-31-26(28-23)21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,27,30).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide 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 4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108727454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).