N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine

C123H118FN19O16S10 — CID 167597401

IUPACN-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
SMILESCS(=O)(=O)c1ccc(-c2cnc(F)c(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.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.C18H18N2O3S.C16H14FN3O2S2.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;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(21,22)13-6-4-11(5-7-13)14-10-18-15(17)16(20-14)19-9-12-3-2-8-23-12;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)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-11H,12H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,19,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyJGNLMHNIKDYBLI-UHFFFAOYSA-N
MW2458.08 g/mol
LogP23.72
Rot. Bonds35

About N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine

N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine (PubChem CID 167597401) has the molecular formula C123H118FN19O16S10 and a molecular weight of 2458.08 g/mol. Its IUPAC name is N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
PubChem CID167597401
Molecular FormulaC123H118FN19O16S10
Molecular Weight2458.08 g/mol
Exact Mass2455.62
IUPAC NameN-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine
SMILESCS(=O)(=O)c1ccc(-c2cnc(F)c(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.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.C18H18N2O3S.C16H14FN3O2S2.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;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(21,22)13-6-4-11(5-7-13)14-10-18-15(17)16(20-14)19-9-12-3-2-8-23-12;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)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-11H,12H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,19,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyJGNLMHNIKDYBLI-UHFFFAOYSA-N
XLogP23.72
TPSA514.23 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.08
LogP ≤ 523.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine with MolForge

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Related Compounds

(5Z)-5-[[2-[[4-[[6-(furan-2-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159037532
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
tert-butyl N-[[2-[2-(furan-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(5-imidazol-1-ylpentanoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[2-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(thiophen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 90900815
2-methyl-5-(4-methylsulfonylphenyl)-3-[(E)-2-phenylethenyl]pyrazine;2-methyl-5-(4-methylsulfonylphenyl)-3-phenylmethoxypyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;2-methyl-3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-phenylmethanone
CID 157790292
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 158136004
N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 158212678
N-benzyl-2,2-dimethylpropanamide;N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;bis(2,2-dimethyl-N-(1-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 158340459
tert-butyl N-[[2-[2-(furan-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(5-imidazol-1-ylpentanoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[2-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(thiophen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane
CID 158855058
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
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-(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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine (CID 167597401) is N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine is CS(=O)(=O)c1ccc(-c2cnc(F)c(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cnc2N)cc1.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;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
The InChIKey is JGNLMHNIKDYBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S.C19H19N3O2S.C18H17N3O2S.C18H18N2O3S.C16H14FN3O2S2.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;1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(21,22)13-6-4-11(5-7-13)14-10-18-15(17)16(20-14)19-9-12-3-2-8-23-12;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)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13/h3-13H,14H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,22);2-10,12-13H,11H2,1H3,(H,20,21);3-11H,12H2,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H,19,20);2-8,10H,9H2,1H3,(H2,17,19)(H,18,20);2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine?
N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine has a molecular weight of 2458.08 g/mol, XLogP of 23.72, 35 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-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-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-N-(thiophen-2-ylmethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 167597401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).