benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate

C31H35N5O6S — CID 59353076

IUPACbenzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate
SMILESCOCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C31H35N5O6S/c1-40-19-16-23-12-13-24(41-2)20-28(23)34-29-30(33-27-11-7-6-10-26(27)32-29)35-43(38,39)25-14-17-36(18-15-25)31(37)42-21-22-8-4-3-5-9-22/h3-13,20,25H,14-19,21H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyOZKCQPIDCORAQT-UHFFFAOYSA-N
MW605.72 g/mol
LogP5.11
Rot. Bonds11

About benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate

benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 59353076) has the molecular formula C31H35N5O6S and a molecular weight of 605.72 g/mol. Its IUPAC name is benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate
PubChem CID59353076
Molecular FormulaC31H35N5O6S
Molecular Weight605.72 g/mol
Exact Mass605.23
IUPAC Namebenzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate
SMILESCOCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C31H35N5O6S/c1-40-19-16-23-12-13-24(41-2)20-28(23)34-29-30(33-27-11-7-6-10-26(27)32-29)35-43(38,39)25-14-17-36(18-15-25)31(37)42-21-22-8-4-3-5-9-22/h3-13,20,25H,14-19,21H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyOZKCQPIDCORAQT-UHFFFAOYSA-N
XLogP5.11
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
CID 155632593
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide
CID 143739508
CID 90350135
CID 90350135
CID 68699737
CID 68699737
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
N-[3-[5-methoxy-2-[(1-methylpiperidin-4-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
CID 24993117
benzyl 4-[4-(hydroxymethyl)-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464458
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
benzyl 4-benzylsulfanylsulfonylpiperidine-1-carboxylate
CID 24741051

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate (CID 59353076) is benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate is COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate?
The InChIKey is OZKCQPIDCORAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6S/c1-40-19-16-23-12-13-24(41-2)20-28(23)34-29-30(33-27-11-7-6-10-26(27)32-29)35-43(38,39)25-14-17-36(18-15-25)31(37)42-21-22-8-4-3-5-9-22/h3-13,20,25H,14-19,21H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate?
benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 605.72 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 59353076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).