N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide

C20H23N3O5S — CID 100552562

IUPACN-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
SMILESCOc1ccc(N(CCCC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-16-11-9-15(10-12-16)23(29(2,26)27)13-5-8-20(25)22-14-19(24)21-17-6-3-4-7-18(17)22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,21,24)
InChIKeyJBYZBHPEDQMVJB-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.23
Rot. Bonds7

About N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide

N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide (PubChem CID 100552562) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
PubChem CID100552562
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
SMILESCOc1ccc(N(CCCC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-16-11-9-15(10-12-16)23(29(2,26)27)13-5-8-20(25)22-14-19(24)21-17-6-3-4-7-18(17)22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,21,24)
InChIKeyJBYZBHPEDQMVJB-UHFFFAOYSA-N
XLogP2.23
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide with MolForge

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 42477601
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002
N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50945050
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
CID 56699753
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 4817791
4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
CID 133224920

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide (CID 100552562) is N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide is COc1ccc(N(CCCC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide?
The InChIKey is JBYZBHPEDQMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-28-16-11-9-15(10-12-16)23(29(2,26)27)13-5-8-20(25)22-14-19(24)21-17-6-3-4-7-18(17)22/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide?
N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide is sourced from PubChem (CID 100552562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).