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

C28H26N2O4S — CID 126210220

IUPAC4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C28H26N2O4S/c1-3-34-23-15-9-19(10-16-23)24(31)17-18-25(32)29-28-30-26(20-7-5-4-6-8-20)27(35-28)21-11-13-22(33-2)14-12-21/h4-16H,3,17-18H2,1-2H3,(H,29,30,32)
InChIKeyBBEYPBQFZYDJPY-UHFFFAOYSA-N
MW486.59 g/mol
LogP6.49
Rot. Bonds10

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

4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide (PubChem CID 126210220) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
PubChem CID126210220
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC Name4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C28H26N2O4S/c1-3-34-23-15-9-19(10-16-23)24(31)17-18-25(32)29-28-30-26(20-7-5-4-6-8-20)27(35-28)21-11-13-22(33-2)14-12-21/h4-16H,3,17-18H2,1-2H3,(H,29,30,32)
InChIKeyBBEYPBQFZYDJPY-UHFFFAOYSA-N
XLogP6.49
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210782
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 118737482
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-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide (CID 126210220) is 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The InChIKey is BBEYPBQFZYDJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-3-34-23-15-9-19(10-16-23)24(31)17-18-25(32)29-28-30-26(20-7-5-4-6-8-20)27(35-28)21-11-13-22(33-2)14-12-21/h4-16H,3,17-18H2,1-2H3,(H,29,30,32).
What are the key properties of 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide has a molecular weight of 486.59 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 126210220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).