5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine

C121H117F3N18O21S11 — CID 167647384

IUPAC5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)Oc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ncc(OCc2ccco2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccco3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2C(F)(F)F)cc1.Cc1coc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.Cn1cccc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H21N3O3S2.C18H19N3O2S.C18H18N2O3S.C17H14F3N3O2S2.C17H16N2O5S.C16H15N3O3S2.C16H14N2O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15;1-21-12-4-5-15(21)13-19-18-7-3-6-17(20-18)14-8-10-16(11-9-14)24(2,22)23;1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-27(24,25)13-6-4-11(5-7-13)15-16(17(18,19)20)22-10-14(23-15)21-9-12-3-2-8-26-12;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)24-11-13-4-3-9-23-13;1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12;1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-10,12-13H,11H2,1-3H3,(H,20,22);3-12H,13H2,1-2H3,(H,19,20);3-10,12H,11H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H2,17,18);2-10H,11H2,1H3
InChIKeyQBPCDZVHCXEOMQ-UHFFFAOYSA-N
MW2569.10 g/mol
LogP23.95
Rot. Bonds38

About 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine

5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 167647384) has the molecular formula C121H117F3N18O21S11 and a molecular weight of 2569.10 g/mol. Its IUPAC name is 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID167647384
Molecular FormulaC121H117F3N18O21S11
Molecular Weight2569.10 g/mol
Exact Mass2566.55
IUPAC Name5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)Oc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ncc(OCc2ccco2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccco3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2C(F)(F)F)cc1.Cc1coc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.Cn1cccc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H21N3O3S2.C18H19N3O2S.C18H18N2O3S.C17H14F3N3O2S2.C17H16N2O5S.C16H15N3O3S2.C16H14N2O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15;1-21-12-4-5-15(21)13-19-18-7-3-6-17(20-18)14-8-10-16(11-9-14)24(2,22)23;1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-27(24,25)13-6-4-11(5-7-13)15-16(17(18,19)20)22-10-14(23-15)21-9-12-3-2-8-26-12;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)24-11-13-4-3-9-23-13;1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12;1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-10,12-13H,11H2,1-3H3,(H,20,22);3-12H,13H2,1-2H3,(H,19,20);3-10,12H,11H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H2,17,18);2-10H,11H2,1H3
InChIKeyQBPCDZVHCXEOMQ-UHFFFAOYSA-N
XLogP23.95
TPSA549.07 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.10
LogP ≤ 523.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine (CID 167647384) is 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine is CC(C)Oc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ncc(OCc2ccco2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccco3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2C(F)(F)F)cc1.Cc1coc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.Cn1cccc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is QBPCDZVHCXEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2.C18H19N3O2S.C18H18N2O3S.C17H14F3N3O2S2.C17H16N2O5S.C16H15N3O3S2.C16H14N2O3S2/c1-13(2)25-19-18(14-6-8-16(9-7-14)27(3,23)24)22-17(12-21-19)20-11-15-5-4-10-26-15;1-21-12-4-5-15(21)13-19-18-7-3-6-17(20-18)14-8-10-16(11-9-14)24(2,22)23;1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-27(24,25)13-6-4-11(5-7-13)15-16(17(18,19)20)22-10-14(23-15)21-9-12-3-2-8-26-12;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)24-11-13-4-3-9-23-13;1-24(20,21)13-6-4-11(5-7-13)14-9-18-15(17)16(19-14)22-10-12-3-2-8-23-12;1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-10,12-13H,11H2,1-3H3,(H,20,22);3-12H,13H2,1-2H3,(H,19,20);3-10,12H,11H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H2,17,18);2-10H,11H2,1H3.
What are the key properties of 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine?
5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 2569.10 g/mol, XLogP of 23.95, 38 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 167647384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).