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

C23H22N4O3S — CID 99146547

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-2-15-7-9-16(10-8-15)18-14-31-23(25-18)26-20(28)11-12-22(30)27-13-21(29)24-17-5-3-4-6-19(17)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyUBAYKLXVXMVWRQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.08
Rot. Bonds6

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

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 99146547) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID99146547
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-2-15-7-9-16(10-8-15)18-14-31-23(25-18)26-20(28)11-12-22(30)27-13-21(29)24-17-5-3-4-6-19(17)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyUBAYKLXVXMVWRQ-UHFFFAOYSA-N
XLogP4.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55895351
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 49424297
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide
CID 56520040
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699309
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912384
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912412
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912402
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 99146547) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is CCc1ccc(-c2csc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is UBAYKLXVXMVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-15-7-9-16(10-8-15)18-14-31-23(25-18)26-20(28)11-12-22(30)27-13-21(29)24-17-5-3-4-6-19(17)27/h3-10,14H,2,11-13H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 434.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 99146547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).