ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H24N4O5S — CID 2334194

IUPACethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O5S/c1-3-32-23(28)19-20-22(25-18-13-8-7-12-17(18)24-20)27(14-9-15-31-2)21(19)26-33(29,30)16-10-5-4-6-11-16/h4-8,10-13,26H,3,9,14-15H2,1-2H3
InChIKeyDRACJKWGTDYKRU-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.60
Rot. Bonds9

About ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2334194) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2334194
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Nameethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O5S/c1-3-32-23(28)19-20-22(25-18-13-8-7-12-17(18)24-20)27(14-9-15-31-2)21(19)26-33(29,30)16-10-5-4-6-11-16/h4-8,10-13,26H,3,9,14-15H2,1-2H3
InChIKeyDRACJKWGTDYKRU-UHFFFAOYSA-N
XLogP3.60
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2334194) is ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is DRACJKWGTDYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-3-32-23(28)19-20-22(25-18-13-8-7-12-17(18)24-20)27(14-9-15-31-2)21(19)26-33(29,30)16-10-5-4-6-11-16/h4-8,10-13,26H,3,9,14-15H2,1-2H3.
What are the key properties of ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 468.54 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2334194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).