4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide

C15H16N2O3S — CID 17436186

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,19)
InChIKeyQKPCHWBMEPJRAG-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.14
Rot. Bonds7

About 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide

4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 17436186) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID17436186
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,19)
InChIKeyQKPCHWBMEPJRAG-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205520
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
N'-[2-(benzylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205297
4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 30182868
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
N'-(4-ethoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205266

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 17436186) is 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is CCOc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is QKPCHWBMEPJRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6,9-10H,2,7-8H2,1H3,(H,16,17,19).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 304.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 17436186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).