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

C20H19N5O2S2 — CID 133413072

IUPACN-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCN(CCc1nccs1)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N5O2S2/c1-25(13-11-18-21-12-14-28-18)20-19(22-16-9-5-6-10-17(16)23-20)24-29(26,27)15-7-3-2-4-8-15/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyBNWVAFGSVVHMKA-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.57
Rot. Bonds7

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

N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133413072) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID133413072
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC NameN-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCN(CCc1nccs1)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N5O2S2/c1-25(13-11-18-21-12-14-28-18)20-19(22-16-9-5-6-10-17(16)23-20)24-29(26,27)15-7-3-2-4-8-15/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyBNWVAFGSVVHMKA-UHFFFAOYSA-N
XLogP3.57
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133308480
N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133413137
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 110747663
2-(benzenesulfonamido)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446219
N-(dimethylsulfamoyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 110716052
N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 2297789
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide (CID 133413072) is N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide is CN(CCc1nccs1)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is BNWVAFGSVVHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-25(13-11-18-21-12-14-28-18)20-19(22-16-9-5-6-10-17(16)23-20)24-29(26,27)15-7-3-2-4-8-15/h2-10,12,14H,11,13H2,1H3,(H,22,24).
What are the key properties of N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 425.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133413072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).