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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine

C137H126FN13O23S16 — CID 167571983

IUPAC4-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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCOc1ncc(OCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(F)cc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccsc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3ccsc3)n2)cc1.Cc1ccc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)s1.Cc1ccsc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.Cc1csc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H18N2O2S2.C17H14FNO3S2.C17H16N2O4S2.2C17H16N2O3S2.C17H16N2O2S2.2C17H15NO3S2/c1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(20,21)15-6-4-12(5-7-15)16-9-13(18)10-17(19-16)22-11-14-3-2-8-23-14;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)23-11-13-4-3-9-24-13;1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21;1-12-7-14(23-11-12)10-22-17-9-18-8-16(19-17)13-3-5-15(6-4-13)24(2,20)21;1-23(20,21)15-7-5-14(6-8-15)16-3-2-4-17(19-16)18-11-13-9-10-22-12-13;1-23(19,20)15-9-7-13(8-10-15)16-5-2-6-17(18-16)21-12-14-4-3-11-22-14;1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)21-11-13-9-10-22-12-13/h3-11H,12H2,1-2H3,(H,19,20);2-10H,11H2,1H3;3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;3-9,11H,10H2,1-2H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyGAHVRDMJUWVZKX-UHFFFAOYSA-N
MW2854.65 g/mol
LogP29.66
Rot. Bonds41

About 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine

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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 167571983) has the molecular formula C137H126FN13O23S16 and a molecular weight of 2854.65 g/mol. Its IUPAC name is 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID167571983
Molecular FormulaC137H126FN13O23S16
Molecular Weight2854.65 g/mol
Exact Mass2851.46
IUPAC Name4-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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCOc1ncc(OCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(F)cc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccsc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3ccsc3)n2)cc1.Cc1ccc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)s1.Cc1ccsc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.Cc1csc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H18N2O2S2.C17H14FNO3S2.C17H16N2O4S2.2C17H16N2O3S2.C17H16N2O2S2.2C17H15NO3S2/c1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(20,21)15-6-4-12(5-7-15)16-9-13(18)10-17(19-16)22-11-14-3-2-8-23-14;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)23-11-13-4-3-9-24-13;1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21;1-12-7-14(23-11-12)10-22-17-9-18-8-16(19-17)13-3-5-15(6-4-13)24(2,20)21;1-23(20,21)15-7-5-14(6-8-15)16-3-2-4-17(19-16)18-11-13-9-10-22-12-13;1-23(19,20)15-9-7-13(8-10-15)16-5-2-6-17(18-16)21-12-14-4-3-11-22-14;1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)21-11-13-9-10-22-12-13/h3-11H,12H2,1-2H3,(H,19,20);2-10H,11H2,1H3;3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;3-9,11H,10H2,1-2H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyGAHVRDMJUWVZKX-UHFFFAOYSA-N
XLogP29.66
TPSA503.58 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002854.65
LogP ≤ 529.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
CID 167591361
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
2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)
CID 159172181
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
6-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)pyridin-2-amine;bis(2-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3-dihydroisoindole);2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethoxy)pyrazine;2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 167550764
5-ethoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;4-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;N-[(5-methylfuran-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyridine
CID 167555532
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-(furan-3-ylmethyl)-N-methyl-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(Z)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-[(1S)-1-thiophen-2-ylethoxy]pyrazine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 167564561
5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 167565217
2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 167565345
2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 167567407
5-fluoro-N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(5-methyl-2-pyridinyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazin-2-amine;2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]sulfanylmethyl]-1,3-oxazole;2-(4-methylsulfonylphenyl)-6-[(E)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazine-2-carboxamide
CID 167581437

Frequently Asked Questions

What is the IUPAC name of 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 167571983) is 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine is COc1ncc(OCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(F)cc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccsc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3ccsc3)n2)cc1.Cc1ccc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)s1.Cc1ccsc1CNc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.Cc1csc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.
What is the InChIKey of 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is GAHVRDMJUWVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2.C17H14FNO3S2.C17H16N2O4S2.2C17H16N2O3S2.C17H16N2O2S2.2C17H15NO3S2/c1-13-10-11-23-17(13)12-19-18-5-3-4-16(20-18)14-6-8-15(9-7-14)24(2,21)22;1-24(20,21)15-6-4-12(5-7-15)16-9-13(18)10-17(19-16)22-11-14-3-2-8-23-14;1-22-17-16(12-5-7-14(8-6-12)25(2,20)21)19-15(10-18-17)23-11-13-4-3-9-24-13;1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21;1-12-7-14(23-11-12)10-22-17-9-18-8-16(19-17)13-3-5-15(6-4-13)24(2,20)21;1-23(20,21)15-7-5-14(6-8-15)16-3-2-4-17(19-16)18-11-13-9-10-22-12-13;1-23(19,20)15-9-7-13(8-10-15)16-5-2-6-17(18-16)21-12-14-4-3-11-22-14;1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)21-11-13-9-10-22-12-13/h3-11H,12H2,1-2H3,(H,19,20);2-10H,11H2,1H3;3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;3-9,11H,10H2,1-2H3;2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3;2-10,12H,11H2,1H3.
What are the key properties of 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 2854.65 g/mol, XLogP of 29.66, 41 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 167571983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).