(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane

C178H206N22O37S9 — CID 163720834

IUPAC(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane
SMILESC.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H36N4O6S.C30H36N4O7S2.C30H34N4O5S.C29H34N4O6S2.C29H31N3O6S.C28H31N3O7S2.CH4/c1-2-25-28(36)29(37)27(31(39)41-25)34-30(38)22(18-32)17-24-7-8-26(42-24)21-4-3-20-16-23(6-5-19(20)15-21)33-9-10-35-11-13-40-14-12-35;1-2-25-28(35)29(36)27(30(37)41-25)33-43(38,39)24(18-31)17-23-7-8-26(42-23)21-4-3-20-16-22(6-5-19(20)15-21)32-9-10-34-11-13-40-14-12-34;1-3-24-27(35)28(36)26(30(38)39-24)32-29(37)21(17-31)16-23-8-9-25(40-23)20-5-4-19-15-22(7-6-18(19)14-20)34-12-10-33(2)11-13-34;1-3-24-27(34)28(35)26(29(36)39-24)31-41(37,38)23(17-30)16-22-8-9-25(40-22)20-5-4-19-15-21(7-6-18(19)14-20)33-12-10-32(2)11-13-33;1-2-23-26(33)27(34)25(29(36)38-23)31-28(35)20(16-30)15-22-7-8-24(39-22)19-4-3-18-14-21(6-5-17(18)13-19)32-9-11-37-12-10-32;1-2-23-26(32)27(33)25(28(34)38-23)30-40(35,36)22(16-29)15-21-7-8-24(39-21)19-4-3-18-14-20(6-5-17(18)13-19)31-9-11-37-12-10-31;/h3-8,15-17,25,27-29,31,33,36-37,39H,2,9-14H2,1H3,(H,34,38);3-8,15-17,25,27-30,32-33,35-37H,2,9-14H2,1H3;4-9,14-16,24,26-28,30,35-36,38H,3,10-13H2,1-2H3,(H,32,37);4-9,14-16,24,26-29,31,34-36H,3,10-13H2,1-2H3;3-8,13-15,23,25-27,29,33-34,36H,2,9-12H2,1H3,(H,31,35);3-8,13-15,23,25-28,30,32-34H,2,9-12H2,1H3;1H4/b22-17+;24-17+;21-16+;23-16+;20-15+;22-15+;/t25-,27-,28-,29-,31?;25-,27-,28-,29-,30?;24-,26-,27-,28-,30?;24-,26-,27-,28-,29?;23-,25-,26-,27-,29?;23-,25-,26-,27-,28?;/m111111./s1
InChIKeyKRKQOMSTVGZTMB-AIWANMISSA-N
MW3534.33 g/mol
LogP15.44
Rot. Bonds45

About (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane

(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane (PubChem CID 163720834) has the molecular formula C178H206N22O37S9 and a molecular weight of 3534.33 g/mol. Its IUPAC name is (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane.

Molecular Properties

Compound Name(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane
PubChem CID163720834
Molecular FormulaC178H206N22O37S9
Molecular Weight3534.33 g/mol
Exact Mass3531.24
IUPAC Name(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane
SMILESC.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H36N4O6S.C30H36N4O7S2.C30H34N4O5S.C29H34N4O6S2.C29H31N3O6S.C28H31N3O7S2.CH4/c1-2-25-28(36)29(37)27(31(39)41-25)34-30(38)22(18-32)17-24-7-8-26(42-24)21-4-3-20-16-23(6-5-19(20)15-21)33-9-10-35-11-13-40-14-12-35;1-2-25-28(35)29(36)27(30(37)41-25)33-43(38,39)24(18-31)17-23-7-8-26(42-23)21-4-3-20-16-22(6-5-19(20)15-21)32-9-10-34-11-13-40-14-12-34;1-3-24-27(35)28(36)26(30(38)39-24)32-29(37)21(17-31)16-23-8-9-25(40-23)20-5-4-19-15-22(7-6-18(19)14-20)34-12-10-33(2)11-13-34;1-3-24-27(34)28(35)26(29(36)39-24)31-41(37,38)23(17-30)16-22-8-9-25(40-22)20-5-4-19-15-21(7-6-18(19)14-20)33-12-10-32(2)11-13-33;1-2-23-26(33)27(34)25(29(36)38-23)31-28(35)20(16-30)15-22-7-8-24(39-22)19-4-3-18-14-21(6-5-17(18)13-19)32-9-11-37-12-10-32;1-2-23-26(32)27(33)25(28(34)38-23)30-40(35,36)22(16-29)15-21-7-8-24(39-21)19-4-3-18-14-20(6-5-17(18)13-19)31-9-11-37-12-10-31;/h3-8,15-17,25,27-29,31,33,36-37,39H,2,9-14H2,1H3,(H,34,38);3-8,15-17,25,27-30,32-33,35-37H,2,9-14H2,1H3;4-9,14-16,24,26-28,30,35-36,38H,3,10-13H2,1-2H3,(H,32,37);4-9,14-16,24,26-29,31,34-36H,3,10-13H2,1-2H3;3-8,13-15,23,25-27,29,33-34,36H,2,9-12H2,1H3,(H,31,35);3-8,13-15,23,25-28,30,32-34H,2,9-12H2,1H3;1H4/b22-17+;24-17+;21-16+;23-16+;20-15+;22-15+;/t25-,27-,28-,29-,31?;25-,27-,28-,29-,30?;24-,26-,27-,28-,30?;24-,26-,27-,28-,29?;23-,25-,26-,27-,29?;23-,25-,26-,27-,28?;/m111111./s1
InChIKeyKRKQOMSTVGZTMB-AIWANMISSA-N
XLogP15.44
TPSA874.97 Ų
H-Bond Donors26
H-Bond Acceptors59
Rotatable Bonds45
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003534.33
LogP ≤ 515.44
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1059

Analyze (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 158027278
(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 161375331
(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-N-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethenesulfonamide
CID 145041353
(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide
CID 122683018
(E)-1-cyano-2-[1-methyl-5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[1-methyl-5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[1-methyl-5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[1-methyl-5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 167582509
(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 158661075
(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[4-(2-morpholin-4-ylethylamino)phenyl]ethenesulfonamide
CID 122682676
(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[1-methyl-5-(6-morpholin-4-ylnaphthalen-2-yl)pyrrol-2-yl]ethenesulfonamide
CID 122683003
(E)-1-cyano-2-[4-(diethylamino)phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-2-[4-(dimethylamino)phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-2-[4-[ethyl(propyl)amino]phenyl]-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[4-(2-morpholin-4-ylethylamino)phenyl]ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-(4-morpholin-4-ylphenyl)ethenesulfonamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-(4-piperidin-1-ylphenyl)ethenesulfonamide;(E)-1-cyano-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethenesulfonamide
CID 163803553
2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 123143094
(E)-1-cyano-2-[1-methyl-5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]pyrrol-2-yl]-N-[[(3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]ethenesulfonamide
CID 122683829
(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide
CID 122682702

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane?
The IUPAC name of (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane (CID 163720834) is (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane.
What is the SMILES notation for (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane?
The canonical SMILES for (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane is C.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NC(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.CC[C@H]1OC(O)[C@H](NS(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc4cc(NCCN5CCOCC5)ccc4c3)s2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane?
The InChIKey is KRKQOMSTVGZTMB-AIWANMISSA-N. The full InChI is InChI=1S/C31H36N4O6S.C30H36N4O7S2.C30H34N4O5S.C29H34N4O6S2.C29H31N3O6S.C28H31N3O7S2.CH4/c1-2-25-28(36)29(37)27(31(39)41-25)34-30(38)22(18-32)17-24-7-8-26(42-24)21-4-3-20-16-23(6-5-19(20)15-21)33-9-10-35-11-13-40-14-12-35;1-2-25-28(35)29(36)27(30(37)41-25)33-43(38,39)24(18-31)17-23-7-8-26(42-23)21-4-3-20-16-22(6-5-19(20)15-21)32-9-10-34-11-13-40-14-12-34;1-3-24-27(35)28(36)26(30(38)39-24)32-29(37)21(17-31)16-23-8-9-25(40-23)20-5-4-19-15-22(7-6-18(19)14-20)34-12-10-33(2)11-13-34;1-3-24-27(34)28(35)26(29(36)39-24)31-41(37,38)23(17-30)16-22-8-9-25(40-22)20-5-4-19-15-21(7-6-18(19)14-20)33-12-10-32(2)11-13-33;1-2-23-26(33)27(34)25(29(36)38-23)31-28(35)20(16-30)15-22-7-8-24(39-22)19-4-3-18-14-21(6-5-17(18)13-19)32-9-11-37-12-10-32;1-2-23-26(32)27(33)25(28(34)38-23)30-40(35,36)22(16-29)15-21-7-8-24(39-21)19-4-3-18-14-20(6-5-17(18)13-19)31-9-11-37-12-10-31;/h3-8,15-17,25,27-29,31,33,36-37,39H,2,9-14H2,1H3,(H,34,38);3-8,15-17,25,27-30,32-33,35-37H,2,9-14H2,1H3;4-9,14-16,24,26-28,30,35-36,38H,3,10-13H2,1-2H3,(H,32,37);4-9,14-16,24,26-29,31,34-36H,3,10-13H2,1-2H3;3-8,13-15,23,25-27,29,33-34,36H,2,9-12H2,1H3,(H,31,35);3-8,13-15,23,25-28,30,32-34H,2,9-12H2,1H3;1H4/b22-17+;24-17+;21-16+;23-16+;20-15+;22-15+;/t25-,27-,28-,29-,31?;25-,27-,28-,29-,30?;24-,26-,27-,28-,30?;24-,26-,27-,28-,29?;23-,25-,26-,27-,29?;23-,25-,26-,27-,28?;/m111111./s1.
What are the key properties of (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane?
(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane has a molecular weight of 3534.33 g/mol, XLogP of 15.44, 45 rotatable bonds, 26 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide;(E)-1-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]ethenesulfonamide;(E)-2-cyano-N-[(3R,4R,5S,6R)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]prop-2-enamide;methane is sourced from PubChem (CID 163720834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).