N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

C23H29N3O4S — CID 16863940

IUPACN,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)13-25(14-17(3)4)31(29,30)19-11-9-18(10-12-19)23(28)26-15-22(27)24-20-7-5-6-8-21(20)26/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)
InChIKeyQQPBFTFJSBLFRQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.59
Rot. Bonds7

About N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (PubChem CID 16863940) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
PubChem CID16863940
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)13-25(14-17(3)4)31(29,30)19-11-9-18(10-12-19)23(28)26-15-22(27)24-20-7-5-6-8-21(20)26/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)
InChIKeyQQPBFTFJSBLFRQ-UHFFFAOYSA-N
XLogP3.59
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16864013
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 92685302
4-bromo-N-methyl-N-[[3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 59700592
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 26860472

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (CID 16863940) is N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The InChIKey is QQPBFTFJSBLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16(2)13-25(14-17(3)4)31(29,30)19-11-9-18(10-12-19)23(28)26-15-22(27)24-20-7-5-6-8-21(20)26/h5-12,16-17H,13-15H2,1-4H3,(H,24,27).
What are the key properties of N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 16863940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).