N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide

C20H19N5O2S2 — CID 133308480

IUPACN-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1csc(CN(C)c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N5O2S2/c1-14-13-28-18(21-14)12-25(2)20-19(22-16-10-6-7-11-17(16)23-20)24-29(26,27)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyIKCMQQBVCSVIJZ-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133308480) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID133308480
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC NameN-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCc1csc(CN(C)c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N5O2S2/c1-14-13-28-18(21-14)12-25(2)20-19(22-16-10-6-7-11-17(16)23-20)24-29(26,27)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyIKCMQQBVCSVIJZ-UHFFFAOYSA-N
XLogP3.83
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]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-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133413072
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
CID 163248782
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 133308627
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133346802
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133308530
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 72853672

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide (CID 133308480) is N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide is Cc1csc(CN(C)c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IKCMQQBVCSVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-14-13-28-18(21-14)12-25(2)20-19(22-16-10-6-7-11-17(16)23-20)24-29(26,27)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 425.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133308480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).