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

C26H22N2O3S — CID 108727456

IUPAC4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C26H22N2O3S/c1-31-22-13-9-19(10-14-22)24(29)15-16-25(30)27-21-11-7-18(8-12-21)23-17-32-26(28-23)20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyRSBRQENMXQFWHJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.09
Rot. Bonds8

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

4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108727456) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108727456
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C26H22N2O3S/c1-31-22-13-9-19(10-14-22)24(29)15-16-25(30)27-21-11-7-18(8-12-21)23-17-32-26(28-23)20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,27,30)
InChIKeyRSBRQENMXQFWHJ-UHFFFAOYSA-N
XLogP6.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
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-oxo-4-phenylbutanamide
CID 8534002
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108727456) is 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is RSBRQENMXQFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-31-22-13-9-19(10-14-22)24(29)15-16-25(30)27-21-11-7-18(8-12-21)23-17-32-26(28-23)20-5-3-2-4-6-20/h2-14,17H,15-16H2,1H3,(H,27,30).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 442.54 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108727456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).