N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine

C142H139N21O20S11 — CID 167632706

IUPACN-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
SMILESCOc1ccc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)nc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccns3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.C[C@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccco1.Cc1ccc(CNc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccc(COc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccoc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C20H19NO3S.C19H19N3O2S.C18H17N3O2S.2C18H18N2O3S.C17H17N3O3S2.C16H16N4O2S2.C16H15N3O2S2/c1-15-6-8-16(9-7-15)14-24-20-5-3-4-19(21-20)17-10-12-18(13-11-17)25(2,22)23;1-14-3-5-15(6-4-14)11-21-19-13-20-12-18(22-19)16-7-9-17(10-8-16)25(2,23)24;1-24(22,23)16-9-7-15(8-10-16)17-12-19-13-18(21-17)20-11-14-5-3-2-4-6-14;1-13(17-6-4-12-23-17)19-18-7-3-5-16(20-18)14-8-10-15(11-9-14)24(2,21)22;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-23-14-6-7-15(18-11-13-4-3-9-24-13)20-17(14)12-5-8-16(19-10-12)25(2,21)22;1-24(21,22)13-6-4-11(5-7-13)15-16(17)19-10-14(20-15)18-9-12-3-2-8-23-12;1-23(20,21)14-7-5-12(6-8-14)15-3-2-4-16(19-15)17-11-13-9-10-18-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-13H,1-2H3,(H,19,20);3-11H,12H2,1-2H3,(H,19,20);3-10H,11H2,1-2H3,(H,18,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-10H,11H2,1H3,(H,17,19)/t;;;13-;;;;/m...0..../s1
InChIKeyOALZEUOFLKNGEN-YOYJEJJLSA-N
MW2812.54 g/mol
LogP27.50
Rot. Bonds41

About N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine

N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine (PubChem CID 167632706) has the molecular formula C142H139N21O20S11 and a molecular weight of 2812.54 g/mol. Its IUPAC name is N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine.

Molecular Properties

Compound NameN-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
PubChem CID167632706
Molecular FormulaC142H139N21O20S11
Molecular Weight2812.54 g/mol
Exact Mass2809.74
IUPAC NameN-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
SMILESCOc1ccc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)nc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccns3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.C[C@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccco1.Cc1ccc(CNc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccc(COc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccoc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C20H19NO3S.C19H19N3O2S.C18H17N3O2S.2C18H18N2O3S.C17H17N3O3S2.C16H16N4O2S2.C16H15N3O2S2/c1-15-6-8-16(9-7-15)14-24-20-5-3-4-19(21-20)17-10-12-18(13-11-17)25(2,22)23;1-14-3-5-15(6-4-14)11-21-19-13-20-12-18(22-19)16-7-9-17(10-8-16)25(2,23)24;1-24(22,23)16-9-7-15(8-10-16)17-12-19-13-18(21-17)20-11-14-5-3-2-4-6-14;1-13(17-6-4-12-23-17)19-18-7-3-5-16(20-18)14-8-10-15(11-9-14)24(2,21)22;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-23-14-6-7-15(18-11-13-4-3-9-24-13)20-17(14)12-5-8-16(19-10-12)25(2,21)22;1-24(21,22)13-6-4-11(5-7-13)15-16(17)19-10-14(20-15)18-9-12-3-2-8-23-12;1-23(20,21)14-7-5-12(6-8-14)15-3-2-4-16(19-15)17-11-13-9-10-18-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-13H,1-2H3,(H,19,20);3-11H,12H2,1-2H3,(H,19,20);3-10H,11H2,1-2H3,(H,18,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-10H,11H2,1H3,(H,17,19)/t;;;13-;;;;/m...0..../s1
InChIKeyOALZEUOFLKNGEN-YOYJEJJLSA-N
XLogP27.50
TPSA595.66 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002812.54
LogP ≤ 527.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine with MolForge

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Related Compounds

2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;3-methyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole;3-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]sulfanylmethyl]-1,2-oxazole;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethoxy)pyrazine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazin-2-amine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 167559019
N-(furan-2-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine;3-methyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine;2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole;3-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]sulfanylmethyl]-1,2-oxazole;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazin-2-amine
CID 167601427
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
cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159543892
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159678698
(5Z)-5-[[2-[[4-[[2-(furan-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-(furan-3-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;methane;(5Z)-5-[[2-[[4-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(2-thiophen-3-yl-3-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160718364
7-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)furo[2,3-c]pyridine;5-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethoxy)-1,6-naphthyridine;7-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[2,3-c]pyridin-5-amine
CID 167534489
4-fluoro-2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;2-methoxy-3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyrazine;2-(4-methylsulfonylphenyl)-6-[(4-methylthiophen-2-yl)methoxy]pyrazine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyrazine;6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;2-(4-methylsulfonylphenyl)-6-(thiophen-3-ylmethoxy)pyridine
CID 167536935
methane;7-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)furo[2,3-c]pyridine;5-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethoxy)-1,6-naphthyridine;7-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[2,3-c]pyridin-5-amine
CID 167539604
N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542079
N-(1-adamantyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrazol-4-yl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine
CID 167545076
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 167548962

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
The IUPAC name of N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine (CID 167632706) is N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine.
What is the SMILES notation for N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
The canonical SMILES for N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine is COc1ccc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)nc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccns3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.C[C@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccco1.Cc1ccc(CNc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccc(COc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.Cc1ccoc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
The InChIKey is OALZEUOFLKNGEN-YOYJEJJLSA-N. The full InChI is InChI=1S/C20H19NO3S.C19H19N3O2S.C18H17N3O2S.2C18H18N2O3S.C17H17N3O3S2.C16H16N4O2S2.C16H15N3O2S2/c1-15-6-8-16(9-7-15)14-24-20-5-3-4-19(21-20)17-10-12-18(13-11-17)25(2,22)23;1-14-3-5-15(6-4-14)11-21-19-13-20-12-18(22-19)16-7-9-17(10-8-16)25(2,23)24;1-24(22,23)16-9-7-15(8-10-16)17-12-19-13-18(21-17)20-11-14-5-3-2-4-6-14;1-13(17-6-4-12-23-17)19-18-7-3-5-16(20-18)14-8-10-15(11-9-14)24(2,21)22;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-23-14-6-7-15(18-11-13-4-3-9-24-13)20-17(14)12-5-8-16(19-10-12)25(2,21)22;1-24(21,22)13-6-4-11(5-7-13)15-16(17)19-10-14(20-15)18-9-12-3-2-8-23-12;1-23(20,21)14-7-5-12(6-8-14)15-3-2-4-16(19-15)17-11-13-9-10-18-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-13H,1-2H3,(H,19,20);3-11H,12H2,1-2H3,(H,19,20);3-10H,11H2,1-2H3,(H,18,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-10H,11H2,1H3,(H,17,19)/t;;;13-;;;;/m...0..../s1.
What are the key properties of N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine has a molecular weight of 2812.54 g/mol, XLogP of 27.50, 41 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-2-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;N-[(3-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-[(4-methylphenyl)methoxy]-6-(4-methylsulfonylphenyl)pyridine;N-[(4-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-thiazol-5-ylmethyl)pyridin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 167632706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).