5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

C22H29N3O4S — CID 123852801

IUPAC5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)NCC(C)N3C(C)=O)ccc1OC
InChIInChI=1S/C22H29N3O4S/c1-6-24(7-2)30(27,28)22-13-18(9-11-21(22)29-5)17-8-10-20-19(12-17)23-14-15(3)25(20)16(4)26/h8-13,15,23H,6-7,14H2,1-5H3
InChIKeyRUXYMSOKSRKZDN-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.56
Rot. Bonds6

About 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (PubChem CID 123852801) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
PubChem CID123852801
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)NCC(C)N3C(C)=O)ccc1OC
InChIInChI=1S/C22H29N3O4S/c1-6-24(7-2)30(27,28)22-13-18(9-11-21(22)29-5)17-8-10-20-19(12-17)23-14-15(3)25(20)16(4)26/h8-13,15,23H,6-7,14H2,1-5H3
InChIKeyRUXYMSOKSRKZDN-UHFFFAOYSA-N
XLogP3.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

(3S)-7-[3-(diethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-(3-methylbutanoyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 146313027
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
N-ethyl-2-methoxy-N-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)benzenesulfonamide
CID 171909595
1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82391759
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
N-[5-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-2-methoxyphenyl]methanesulfonamide
CID 118079729
5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]-N,N-diethyl-2-methoxybenzenesulfonamide
CID 55860230
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 120816050
3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
CID 55601920
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (CID 123852801) is 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)NCC(C)N3C(C)=O)ccc1OC.
What is the InChIKey of 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The InChIKey is RUXYMSOKSRKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-6-24(7-2)30(27,28)22-13-18(9-11-21(22)29-5)17-8-10-20-19(12-17)23-14-15(3)25(20)16(4)26/h8-13,15,23H,6-7,14H2,1-5H3.
What are the key properties of 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 123852801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).