N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H16F3N3O4S — CID 50945050

IUPACN-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O4S/c1-29(27,28)24(13-8-6-12(7-9-13)18(19,20)21)11-17(26)23-10-16(25)22-14-4-2-3-5-15(14)23/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeySVFVZXGRRZPHPP-UHFFFAOYSA-N
MW427.40 g/mol
LogP2.46
Rot. Bonds4

About N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 50945050) has the molecular formula C18H16F3N3O4S and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID50945050
Molecular FormulaC18H16F3N3O4S
Molecular Weight427.40 g/mol
Exact Mass427.08
IUPAC NameN-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O4S/c1-29(27,28)24(13-8-6-12(7-9-13)18(19,20)21)11-17(26)23-10-16(25)22-14-4-2-3-5-15(14)23/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeySVFVZXGRRZPHPP-UHFFFAOYSA-N
XLogP2.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
CID 100552562
N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide
CID 6493131
N-(2-oxo-2-piperidin-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50946136
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7355456
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35623009
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 52561683

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 50945050) is N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is SVFVZXGRRZPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4S/c1-29(27,28)24(13-8-6-12(7-9-13)18(19,20)21)11-17(26)23-10-16(25)22-14-4-2-3-5-15(14)23/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 427.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 50945050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).