ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate

C19H19N3O4S — CID 46506951

IUPACethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc2ccccc2nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-26-17(23)12-20-18-19(22-16-7-5-4-6-15(16)21-18)27(24,25)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyNNRHNMLYOJRUSB-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.75
Rot. Bonds6

About ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate

ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate (PubChem CID 46506951) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate
PubChem CID46506951
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc2ccccc2nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-26-17(23)12-20-18-19(22-16-7-5-4-6-15(16)21-18)27(24,25)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyNNRHNMLYOJRUSB-UHFFFAOYSA-N
XLogP2.75
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
CID 90676310
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N,N-diethyl-2-[(3-methylquinoxalin-2-yl)amino]acetamide
CID 47419458
ethyl 4-(4-methylphenyl)sulfonyl-1H-pyrrole-3-carboxylate
CID 10565651
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate (CID 46506951) is ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate is CCOC(=O)CNc1nc2ccccc2nc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate?
The InChIKey is NNRHNMLYOJRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-26-17(23)12-20-18-19(22-16-7-5-4-6-15(16)21-18)27(24,25)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate?
ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate has a molecular weight of 385.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate is sourced from PubChem (CID 46506951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).