2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide

C174H210Cl3F4N29O28S8 — CID 172917869

IUPAC2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4ccc(Cl)cc4)cc3)S2(=O)=O)ccn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H27ClN4O3S.C24H26ClN3O3S.C23H24ClN3O4S.C23H30N4O4S.C22H31N5O4S.C21H28N4O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22;25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;1-2-29-23-18-19-6-8-21(9-7-19)28-17-5-3-4-14-24-15-16-25(30(24,26)27)20-10-12-22-13-11-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-13,18H,1-3,14-17H2,(H2,26,27);4-15H,1-3,16-19H2;1-12H,13-18H2;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);6-13,18H,2-5,14-17H2,1H3;4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-23+;25-17+;23-18+;;
InChIKeyCIXNRGGHDIMOIH-TZZCFZHXSA-N
MW3594.66 g/mol
LogP29.39
Rot. Bonds75

About 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 172917869) has the molecular formula C174H210Cl3F4N29O28S8 and a molecular weight of 3594.66 g/mol. Its IUPAC name is 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID172917869
Molecular FormulaC174H210Cl3F4N29O28S8
Molecular Weight3594.66 g/mol
Exact Mass3590.27
IUPAC Name2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4ccc(Cl)cc4)cc3)S2(=O)=O)ccn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H27ClN4O3S.C24H26ClN3O3S.C23H24ClN3O4S.C23H30N4O4S.C22H31N5O4S.C21H28N4O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22;25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;1-2-29-23-18-19-6-8-21(9-7-19)28-17-5-3-4-14-24-15-16-25(30(24,26)27)20-10-12-22-13-11-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-13,18H,1-3,14-17H2,(H2,26,27);4-15H,1-3,16-19H2;1-12H,13-18H2;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);6-13,18H,2-5,14-17H2,1H3;4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-23+;25-17+;23-18+;;
InChIKeyCIXNRGGHDIMOIH-TZZCFZHXSA-N
XLogP29.39
TPSA627.96 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds75
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003594.66
LogP ≤ 529.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 172917869) is 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide is CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.Nc1cc(N2CCN(CCCCCOc3ccc(-c4ccc(Cl)cc4)cc3)S2(=O)=O)ccn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.
What is the InChIKey of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is CIXNRGGHDIMOIH-TZZCFZHXSA-N. The full InChI is InChI=1S/C24H27ClN4O3S.C24H26ClN3O3S.C23H24ClN3O4S.C23H30N4O4S.C22H31N5O4S.C21H28N4O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22;25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;1-2-29-23-18-19-6-8-21(9-7-19)28-17-5-3-4-14-24-15-16-25(30(24,26)27)20-10-12-22-13-11-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-13,18H,1-3,14-17H2,(H2,26,27);4-15H,1-3,16-19H2;1-12H,13-18H2;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);6-13,18H,2-5,14-17H2,1H3;4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-23+;25-17+;23-18+;;.
What are the key properties of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 3594.66 g/mol, XLogP of 29.39, 75 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;(E)-1-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]-N-ethoxymethanimine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 172917869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).