N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide

C22H22N4O4S — CID 133346802

IUPACN-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOCC(Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C22H22N4O4S/c1-15-12-13-20(30-15)19(14-29-2)25-21-22(24-18-11-7-6-10-17(18)23-21)26-31(27,28)16-8-4-3-5-9-16/h3-13,19H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIEULAVNUFPLKOW-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.13
Rot. Bonds8

About N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133346802) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID133346802
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOCC(Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C22H22N4O4S/c1-15-12-13-20(30-15)19(14-29-2)25-21-22(24-18-11-7-6-10-17(18)23-21)26-31(27,28)16-8-4-3-5-9-16/h3-13,19H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIEULAVNUFPLKOW-UHFFFAOYSA-N
XLogP4.13
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide (CID 133346802) is N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide is COCC(Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1ccc(C)o1.
What is the InChIKey of N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IEULAVNUFPLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-15-12-13-20(30-15)19(14-29-2)25-21-22(24-18-11-7-6-10-17(18)23-21)26-31(27,28)16-8-4-3-5-9-16/h3-13,19H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133346802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).