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

C23H22N4O4S — CID 55895351

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C23H22N4O4S/c1-2-31-19-10-6-3-7-15(19)17-14-32-23(25-17)26-20(28)11-12-22(30)27-13-21(29)24-16-8-4-5-9-18(16)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyLMVDQRDTAOOWMK-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.91
Rot. Bonds7

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

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 55895351) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID55895351
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C23H22N4O4S/c1-2-31-19-10-6-3-7-15(19)17-14-32-23(25-17)26-20(28)11-12-22(30)27-13-21(29)24-16-8-4-5-9-18(16)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyLMVDQRDTAOOWMK-UHFFFAOYSA-N
XLogP3.91
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 99146547
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55896488
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 55895223
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 55895351) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is CCOc1ccccc1-c1csc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is LMVDQRDTAOOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-2-31-19-10-6-3-7-15(19)17-14-32-23(25-17)26-20(28)11-12-22(30)27-13-21(29)24-16-8-4-5-9-18(16)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 450.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 55895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).