N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine

C99H97N13O16S9 — CID 167642384

IUPACN-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine
SMILESCC(C)CNc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.COc1nc(NCc2cccs2)cc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccco3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)nc1.CS(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1
InChIInChI=1S/C17H17N3O3S2.2C17H16N2O3S.C17H15NO2S2.C16H14N2O3S2.C15H19N3O2S/c1-23-17-19-15(12-5-7-14(8-6-12)25(2,21)22)10-16(20-17)18-11-13-4-3-9-24-13;1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14;1-23(19,20)15-4-5-16(18-10-15)12-7-13(9-17-8-12)21-11-14-3-2-6-22-14;1-11(2)8-17-15-10-16-9-14(18-15)12-4-6-13(7-5-12)21(3,19)20/h3-10H,11H2,1-2H3,(H,18,19,20);2-8,10-12,19H,9H2,1H3;2-11,19H,12H2,1H3;2-11H,12H2,1H3;2-10H,11H2,1H3;4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyPITFGQBJNUSIFY-UHFFFAOYSA-N
MW2013.54 g/mol
LogP19.87
Rot. Bonds31

About N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine

N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine (PubChem CID 167642384) has the molecular formula C99H97N13O16S9 and a molecular weight of 2013.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine
PubChem CID167642384
Molecular FormulaC99H97N13O16S9
Molecular Weight2013.54 g/mol
Exact Mass2011.47
IUPAC NameN-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine
SMILESCC(C)CNc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.COc1nc(NCc2cccs2)cc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccco3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)nc1.CS(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1
InChIInChI=1S/C17H17N3O3S2.2C17H16N2O3S.C17H15NO2S2.C16H14N2O3S2.C15H19N3O2S/c1-23-17-19-15(12-5-7-14(8-6-12)25(2,21)22)10-16(20-17)18-11-13-4-3-9-24-13;1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14;1-23(19,20)15-4-5-16(18-10-15)12-7-13(9-17-8-12)21-11-14-3-2-6-22-14;1-11(2)8-17-15-10-16-9-14(18-15)12-4-6-13(7-5-12)21(3,19)20/h3-10H,11H2,1-2H3,(H,18,19,20);2-8,10-12,19H,9H2,1H3;2-11,19H,12H2,1H3;2-11H,12H2,1H3;2-10H,11H2,1H3;4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyPITFGQBJNUSIFY-UHFFFAOYSA-N
XLogP19.87
TPSA405.87 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002013.54
LogP ≤ 519.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine (CID 167642384) is N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine is CC(C)CNc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.COc1nc(NCc2cccs2)cc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccco3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)c2)nc1.CS(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine?
The InChIKey is PITFGQBJNUSIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2.2C17H16N2O3S.C17H15NO2S2.C16H14N2O3S2.C15H19N3O2S/c1-23-17-19-15(12-5-7-14(8-6-12)25(2,21)22)10-16(20-17)18-11-13-4-3-9-24-13;1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14;1-23(19,20)15-4-5-16(18-10-15)12-7-13(9-17-8-12)21-11-14-3-2-6-22-14;1-11(2)8-17-15-10-16-9-14(18-15)12-4-6-13(7-5-12)21(3,19)20/h3-10H,11H2,1-2H3,(H,18,19,20);2-8,10-12,19H,9H2,1H3;2-11,19H,12H2,1H3;2-11H,12H2,1H3;2-10H,11H2,1H3;4-7,9-11H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine?
N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine has a molecular weight of 2013.54 g/mol, XLogP of 19.87, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine;2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine;N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfinylphenyl)-6-(thiophen-2-ylmethoxy)pyridine;5-methylsulfonyl-2-[5-(thiophen-2-ylmethoxy)-3-pyridinyl]pyridine is sourced from PubChem (CID 167642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).