1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione

C211H284F10N18O45S9 — CID 158410233

IUPAC1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(F)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCCC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1
InChIInChI=1S/C25H33FN2O5S.C24H33FN2O5S.C24H31FN2O5S.C24H35FN2O5S.C23H31FN2O5S.C23H29FN2O5S.C23H33FN2O5S.C23H31FN2O5S.C22H28F2N2O5S/c26-21-9-8-20(16-22(21)33-17-19-6-2-3-7-19)25(11-12-25)18-34(31,32)15-5-1-4-13-28-14-10-23(29)27-24(28)30;2*25-20-8-7-19(15-21(20)32-16-18-5-4-6-18)24(10-11-24)17-33(30,31)14-3-1-2-12-27-13-9-22(28)26-23(27)29;1-23(2,3)16-32-20-15-18(7-8-19(20)25)24(10-11-24)17-33(30,31)14-6-4-5-12-27-13-9-21(28)26-22(27)29;2*24-19-7-6-18(14-20(19)31-15-17-4-5-17)23(9-10-23)16-32(29,30)13-3-1-2-11-26-12-8-21(27)25-22(26)28;2*1-17(2)15-31-20-14-18(6-7-19(20)24)23(9-10-23)16-32(29,30)13-5-3-4-11-26-12-8-21(27)25-22(26)28;1-16(23)14-31-19-13-17(5-6-18(19)24)22(8-9-22)15-32(29,30)12-4-2-3-10-26-11-7-20(27)25-21(26)28/h1,4,8-9,16,19H,2-3,5-7,10-15,17-18H2,(H,27,29,30);7-8,15,18H,1-6,9-14,16-17H2,(H,26,28,29);1-2,7-8,15,18H,3-6,9-14,16-17H2,(H,26,28,29);7-8,15H,4-6,9-14,16-17H2,1-3H3,(H,26,28,29);6-7,14,17H,1-5,8-13,15-16H2,(H,25,27,28);1-2,6-7,14,17H,3-5,8-13,15-16H2,(H,25,27,28);6-7,14,17H,3-5,8-13,15-16H2,1-2H3,(H,25,27,28);3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,25,27,28);2-3,5-6,13,16H,4,7-12,14-15H2,1H3,(H,25,27,28)/b4-1+;;2-1+;;;2-1+;;4-3+;3-2+
InChIKeyGZFHCJOGJCQYNW-LPQBFPNNSA-N
MW4271.26 g/mol
LogP30.07
Rot. Bonds102

About 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione

1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione (PubChem CID 158410233) has the molecular formula C211H284F10N18O45S9 and a molecular weight of 4271.26 g/mol. Its IUPAC name is 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
PubChem CID158410233
Molecular FormulaC211H284F10N18O45S9
Molecular Weight4271.26 g/mol
Exact Mass4267.78
IUPAC Name1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(F)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCCC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1
InChIInChI=1S/C25H33FN2O5S.C24H33FN2O5S.C24H31FN2O5S.C24H35FN2O5S.C23H31FN2O5S.C23H29FN2O5S.C23H33FN2O5S.C23H31FN2O5S.C22H28F2N2O5S/c26-21-9-8-20(16-22(21)33-17-19-6-2-3-7-19)25(11-12-25)18-34(31,32)15-5-1-4-13-28-14-10-23(29)27-24(28)30;2*25-20-8-7-19(15-21(20)32-16-18-5-4-6-18)24(10-11-24)17-33(30,31)14-3-1-2-12-27-13-9-22(28)26-23(27)29;1-23(2,3)16-32-20-15-18(7-8-19(20)25)24(10-11-24)17-33(30,31)14-6-4-5-12-27-13-9-21(28)26-22(27)29;2*24-19-7-6-18(14-20(19)31-15-17-4-5-17)23(9-10-23)16-32(29,30)13-3-1-2-11-26-12-8-21(27)25-22(26)28;2*1-17(2)15-31-20-14-18(6-7-19(20)24)23(9-10-23)16-32(29,30)13-5-3-4-11-26-12-8-21(27)25-22(26)28;1-16(23)14-31-19-13-17(5-6-18(19)24)22(8-9-22)15-32(29,30)12-4-2-3-10-26-11-7-20(27)25-21(26)28/h1,4,8-9,16,19H,2-3,5-7,10-15,17-18H2,(H,27,29,30);7-8,15,18H,1-6,9-14,16-17H2,(H,26,28,29);1-2,7-8,15,18H,3-6,9-14,16-17H2,(H,26,28,29);7-8,15H,4-6,9-14,16-17H2,1-3H3,(H,26,28,29);6-7,14,17H,1-5,8-13,15-16H2,(H,25,27,28);1-2,6-7,14,17H,3-5,8-13,15-16H2,(H,25,27,28);6-7,14,17H,3-5,8-13,15-16H2,1-2H3,(H,25,27,28);3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,25,27,28);2-3,5-6,13,16H,4,7-12,14-15H2,1H3,(H,25,27,28)/b4-1+;;2-1+;;;2-1+;;4-3+;3-2+
InChIKeyGZFHCJOGJCQYNW-LPQBFPNNSA-N
XLogP30.07
TPSA835.02 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds102
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004271.26
LogP ≤ 530.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Analyze 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione (CID 158410233) is 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione is CC(C)(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.CC(C)COc1cc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)ccc1F.CC(F)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3CCC(=O)NC3=O)CC2)ccc1F.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1.O=C1CCN(C/C=C/CCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCCC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.O=C1CCN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CCC4)c3)CC2)C(=O)N1.
What is the InChIKey of 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The InChIKey is GZFHCJOGJCQYNW-LPQBFPNNSA-N. The full InChI is InChI=1S/C25H33FN2O5S.C24H33FN2O5S.C24H31FN2O5S.C24H35FN2O5S.C23H31FN2O5S.C23H29FN2O5S.C23H33FN2O5S.C23H31FN2O5S.C22H28F2N2O5S/c26-21-9-8-20(16-22(21)33-17-19-6-2-3-7-19)25(11-12-25)18-34(31,32)15-5-1-4-13-28-14-10-23(29)27-24(28)30;2*25-20-8-7-19(15-21(20)32-16-18-5-4-6-18)24(10-11-24)17-33(30,31)14-3-1-2-12-27-13-9-22(28)26-23(27)29;1-23(2,3)16-32-20-15-18(7-8-19(20)25)24(10-11-24)17-33(30,31)14-6-4-5-12-27-13-9-21(28)26-22(27)29;2*24-19-7-6-18(14-20(19)31-15-17-4-5-17)23(9-10-23)16-32(29,30)13-3-1-2-11-26-12-8-21(27)25-22(26)28;2*1-17(2)15-31-20-14-18(6-7-19(20)24)23(9-10-23)16-32(29,30)13-5-3-4-11-26-12-8-21(27)25-22(26)28;1-16(23)14-31-19-13-17(5-6-18(19)24)22(8-9-22)15-32(29,30)12-4-2-3-10-26-11-7-20(27)25-21(26)28/h1,4,8-9,16,19H,2-3,5-7,10-15,17-18H2,(H,27,29,30);7-8,15,18H,1-6,9-14,16-17H2,(H,26,28,29);1-2,7-8,15,18H,3-6,9-14,16-17H2,(H,26,28,29);7-8,15H,4-6,9-14,16-17H2,1-3H3,(H,26,28,29);6-7,14,17H,1-5,8-13,15-16H2,(H,25,27,28);1-2,6-7,14,17H,3-5,8-13,15-16H2,(H,25,27,28);6-7,14,17H,3-5,8-13,15-16H2,1-2H3,(H,25,27,28);3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,25,27,28);2-3,5-6,13,16H,4,7-12,14-15H2,1H3,(H,25,27,28)/b4-1+;;2-1+;;;2-1+;;4-3+;3-2+.
What are the key properties of 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione has a molecular weight of 4271.26 g/mol, XLogP of 30.07, 102 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 158410233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).