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

C19H21N3O5S — CID 56699753

IUPACN-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
SMILESCOc1cccc(N(C(C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c1-13(22(28(3,25)26)14-7-6-8-15(11-14)27-2)19(24)21-12-18(23)20-16-9-4-5-10-17(16)21/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyTYTCZERYUXZECK-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.84
Rot. Bonds5

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

N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide (PubChem CID 56699753) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
PubChem CID56699753
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
SMILESCOc1cccc(N(C(C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c1-13(22(28(3,25)26)14-7-6-8-15(11-14)27-2)19(24)21-12-18(23)20-16-9-4-5-10-17(16)21/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyTYTCZERYUXZECK-UHFFFAOYSA-N
XLogP1.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8845745
N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95186250
N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
CID 100552562
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide (CID 56699753) is N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide is COc1cccc(N(C(C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide?
The InChIKey is TYTCZERYUXZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13(22(28(3,25)26)14-7-6-8-15(11-14)27-2)19(24)21-12-18(23)20-16-9-4-5-10-17(16)21/h4-11,13H,12H2,1-3H3,(H,20,23).
What are the key properties of N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide?
N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 56699753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).