N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide

C86H115F6N9O15S4 — CID 160519228

IUPACN-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide
SMILESCCOc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(C)(F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C(C)(F)F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C)(F)CC1.COc1ncc(C(=O)CC(C)CCO)cc1/C=C/c1ccc(C)cc1.COc1ncc(NS(C)(=O)=O)cc1/C=C/C1CC2(CC2)C1
InChIInChI=1S/C21H25NO3.C17H23F3N2O3S.C17H25FN2O3S.C16H22F2N2O3S.C15H20N2O3S/c1-15-4-6-17(7-5-15)8-9-18-13-19(14-22-21(18)25-3)20(24)12-16(2)10-11-23;1-16(18,19)13-5-8-17(20,9-6-13)7-4-12-10-15(22-26(3,23)24)21-11-14(12)25-2;1-4-23-16-14(11-15(12-19-16)20-24(3,21)22)6-5-13-7-9-17(2,18)10-8-13;1-15(17)6-8-16(18,9-7-15)5-4-12-10-14(20-24(3,21)22)19-11-13(12)23-2;1-20-14-12(4-3-11-8-15(9-11)5-6-15)7-13(10-16-14)17-21(2,18)19/h4-9,13-14,16,23H,10-12H2,1-3H3;4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,22);5-6,11-13,20H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,19,20);3-4,7,10-11,17H,5-6,8-9H2,1-2H3/b9-8+;7-4+;6-5+;5-4+;4-3+
InChIKeyQUBBYPDIBPCENQ-JIQFZGOHSA-N
MW1757.17 g/mol
LogP18.12
Rot. Bonds30

About N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide

N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide (PubChem CID 160519228) has the molecular formula C86H115F6N9O15S4 and a molecular weight of 1757.17 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide
PubChem CID160519228
Molecular FormulaC86H115F6N9O15S4
Molecular Weight1757.17 g/mol
Exact Mass1755.73
IUPAC NameN-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide
SMILESCCOc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(C)(F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C(C)(F)F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C)(F)CC1.COc1ncc(C(=O)CC(C)CCO)cc1/C=C/c1ccc(C)cc1.COc1ncc(NS(C)(=O)=O)cc1/C=C/C1CC2(CC2)C1
InChIInChI=1S/C21H25NO3.C17H23F3N2O3S.C17H25FN2O3S.C16H22F2N2O3S.C15H20N2O3S/c1-15-4-6-17(7-5-15)8-9-18-13-19(14-22-21(18)25-3)20(24)12-16(2)10-11-23;1-16(18,19)13-5-8-17(20,9-6-13)7-4-12-10-15(22-26(3,23)24)21-11-14(12)25-2;1-4-23-16-14(11-15(12-19-16)20-24(3,21)22)6-5-13-7-9-17(2,18)10-8-13;1-15(17)6-8-16(18,9-7-15)5-4-12-10-14(20-24(3,21)22)19-11-13(12)23-2;1-20-14-12(4-3-11-8-15(9-11)5-6-15)7-13(10-16-14)17-21(2,18)19/h4-9,13-14,16,23H,10-12H2,1-3H3;4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,22);5-6,11-13,20H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,19,20);3-4,7,10-11,17H,5-6,8-9H2,1-2H3/b9-8+;7-4+;6-5+;5-4+;4-3+
InChIKeyQUBBYPDIBPCENQ-JIQFZGOHSA-N
XLogP18.12
TPSA332.58 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.17
LogP ≤ 518.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide (CID 160519228) is N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide is CCOc1ncc(NS(C)(=O)=O)cc1/C=C/C1CCC(C)(F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C(C)(F)F)CC1.COc1cnc(NS(C)(=O)=O)cc1/C=C/C1(F)CCC(C)(F)CC1.COc1ncc(C(=O)CC(C)CCO)cc1/C=C/c1ccc(C)cc1.COc1ncc(NS(C)(=O)=O)cc1/C=C/C1CC2(CC2)C1.
What is the InChIKey of N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is QUBBYPDIBPCENQ-JIQFZGOHSA-N. The full InChI is InChI=1S/C21H25NO3.C17H23F3N2O3S.C17H25FN2O3S.C16H22F2N2O3S.C15H20N2O3S/c1-15-4-6-17(7-5-15)8-9-18-13-19(14-22-21(18)25-3)20(24)12-16(2)10-11-23;1-16(18,19)13-5-8-17(20,9-6-13)7-4-12-10-15(22-26(3,23)24)21-11-14(12)25-2;1-4-23-16-14(11-15(12-19-16)20-24(3,21)22)6-5-13-7-9-17(2,18)10-8-13;1-15(17)6-8-16(18,9-7-15)5-4-12-10-14(20-24(3,21)22)19-11-13(12)23-2;1-20-14-12(4-3-11-8-15(9-11)5-6-15)7-13(10-16-14)17-21(2,18)19/h4-9,13-14,16,23H,10-12H2,1-3H3;4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,22);5-6,11-13,20H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3,(H,19,20);3-4,7,10-11,17H,5-6,8-9H2,1-2H3/b9-8+;7-4+;6-5+;5-4+;4-3+.
What are the key properties of N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide?
N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 1757.17 g/mol, XLogP of 18.12, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(1,1-difluoroethyl)-1-fluorocyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[4-[(E)-2-(1,4-difluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]methanesulfonamide;N-[6-ethoxy-5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-3-pyridinyl]methanesulfonamide;5-hydroxy-1-[6-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]-3-methylpentan-1-one;N-[6-methoxy-5-[(E)-2-spiro[2.3]hexan-5-ylethenyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 160519228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).