butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

C253H277Cl7FN33O33S — CID 157122481

IUPACbutyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3cccc(NC(=O)OCC(C)C)c3)n(C3CCC3)c2c1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(CC(=O)Oc3ccc(OC)cc3)c2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C29H27ClN2O4.C28H34N4O4.C27H32ClN5O3.C26H32N4O4S.C26H29N3O3.C25H28ClN3O3.C24H26ClN3O3.C23H23ClFN3O3.C23H24ClN3O3.C22H22ClN3O3/c1-3-32-27-18-24(35-15-5-14-30)12-13-25(27)26(19-31)29(32)21-7-4-6-20(16-21)17-28(33)36-23-10-8-22(34-2)9-11-23;1-3-14-36-28(33)30-22-8-5-7-21(18-22)27-25(20-29)24-10-9-23(19-26(24)32(27)4-2)35-15-6-11-31-12-16-34-17-13-31;1-2-33-25-18-22(36-14-4-11-32-12-15-35-16-13-32)7-8-23(25)24(19-29)26(33)20-5-3-6-21(17-20)31-27(34)30-10-9-28;1-3-30-25-18-22(34-14-6-11-29-12-15-33-16-13-29)9-10-23(25)24(19-27)26(30)20-7-5-8-21(17-20)28-35(31,32)4-2;1-4-31-21-11-12-22-23(15-27)25(29(24(22)14-21)20-9-6-10-20)18-7-5-8-19(13-18)28-26(30)32-16-17(2)3;1-3-5-14-32-25(30)28-19-9-7-18(8-10-19)24-22(17-27)21-12-11-20(31-15-6-13-26)16-23(21)29(24)4-2;1-3-13-31-24(29)27-18-8-6-17(7-9-18)23-21(16-26)20-11-10-19(30-14-5-12-25)15-22(20)28(23)4-2;1-2-28-21-14-18(30-12-3-10-24)8-9-19(21)20(15-26)22(28)16-4-6-17(7-5-16)27-23(29)31-13-11-25;1-3-27-21-14-18(30-13-5-12-24)10-11-19(21)20(15-25)22(27)16-6-8-17(9-7-16)26-23(28)29-4-2;1-3-26-20-13-17(29-12-4-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-2/h4,6-13,16,18H,3,5,14-15,17H2,1-2H3;5,7-10,18-19H,3-4,6,11-17H2,1-2H3,(H,30,33);3,5-8,17-18H,2,4,9-16H2,1H3,(H2,30,31,34);5,7-10,17-18,28H,3-4,6,11-16H2,1-2H3;5,7-8,11-14,17,20H,4,6,9-10,16H2,1-3H3,(H,28,30);7-12,16H,3-6,13-15H2,1-2H3,(H,28,30);6-11,15H,3-5,12-14H2,1-2H3,(H,27,29);4-9,14H,2-3,10-13H2,1H3,(H,27,29);6-11,14H,3-5,12-13H2,1-2H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyAIDGAHYDODDQKV-UHFFFAOYSA-N
MW4607.43 g/mol
LogP56.47
Rot. Bonds90

About butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157122481) has the molecular formula C253H277Cl7FN33O33S and a molecular weight of 4607.43 g/mol. Its IUPAC name is butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
PubChem CID157122481
Molecular FormulaC253H277Cl7FN33O33S
Molecular Weight4607.43 g/mol
Exact Mass4600.85
IUPAC Namebutyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3cccc(NC(=O)OCC(C)C)c3)n(C3CCC3)c2c1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(CC(=O)Oc3ccc(OC)cc3)c2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C29H27ClN2O4.C28H34N4O4.C27H32ClN5O3.C26H32N4O4S.C26H29N3O3.C25H28ClN3O3.C24H26ClN3O3.C23H23ClFN3O3.C23H24ClN3O3.C22H22ClN3O3/c1-3-32-27-18-24(35-15-5-14-30)12-13-25(27)26(19-31)29(32)21-7-4-6-20(16-21)17-28(33)36-23-10-8-22(34-2)9-11-23;1-3-14-36-28(33)30-22-8-5-7-21(18-22)27-25(20-29)24-10-9-23(19-26(24)32(27)4-2)35-15-6-11-31-12-16-34-17-13-31;1-2-33-25-18-22(36-14-4-11-32-12-15-35-16-13-32)7-8-23(25)24(19-29)26(33)20-5-3-6-21(17-20)31-27(34)30-10-9-28;1-3-30-25-18-22(34-14-6-11-29-12-15-33-16-13-29)9-10-23(25)24(19-27)26(30)20-7-5-8-21(17-20)28-35(31,32)4-2;1-4-31-21-11-12-22-23(15-27)25(29(24(22)14-21)20-9-6-10-20)18-7-5-8-19(13-18)28-26(30)32-16-17(2)3;1-3-5-14-32-25(30)28-19-9-7-18(8-10-19)24-22(17-27)21-12-11-20(31-15-6-13-26)16-23(21)29(24)4-2;1-3-13-31-24(29)27-18-8-6-17(7-9-18)23-21(16-26)20-11-10-19(30-14-5-12-25)15-22(20)28(23)4-2;1-2-28-21-14-18(30-12-3-10-24)8-9-19(21)20(15-26)22(28)16-4-6-17(7-5-16)27-23(29)31-13-11-25;1-3-27-21-14-18(30-13-5-12-24)10-11-19(21)20(15-25)22(27)16-6-8-17(9-7-16)26-23(28)29-4-2;1-3-26-20-13-17(29-12-4-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-2/h4,6-13,16,18H,3,5,14-15,17H2,1-2H3;5,7-10,18-19H,3-4,6,11-17H2,1-2H3,(H,30,33);3,5-8,17-18H,2,4,9-16H2,1H3,(H2,30,31,34);5,7-10,17-18,28H,3-4,6,11-16H2,1-2H3;5,7-8,11-14,17,20H,4,6,9-10,16H2,1-3H3,(H,28,30);7-12,16H,3-6,13-15H2,1-2H3,(H,28,30);6-11,15H,3-5,12-14H2,1-2H3,(H,27,29);4-9,14H,2-3,10-13H2,1H3,(H,27,29);6-11,14H,3-5,12-13H2,1-2H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyAIDGAHYDODDQKV-UHFFFAOYSA-N
XLogP56.47
TPSA808.05 Ų
H-Bond Donors10
H-Bond Acceptors56
Rotatable Bonds90
Heavy Atoms328
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004607.43
LogP ≤ 556.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1056

Analyze butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 157122481) is butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3cccc(NC(=O)OCC(C)C)c3)n(C3CCC3)c2c1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(CC(=O)Oc3ccc(OC)cc3)c2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.
What is the InChIKey of butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is AIDGAHYDODDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O4.C28H34N4O4.C27H32ClN5O3.C26H32N4O4S.C26H29N3O3.C25H28ClN3O3.C24H26ClN3O3.C23H23ClFN3O3.C23H24ClN3O3.C22H22ClN3O3/c1-3-32-27-18-24(35-15-5-14-30)12-13-25(27)26(19-31)29(32)21-7-4-6-20(16-21)17-28(33)36-23-10-8-22(34-2)9-11-23;1-3-14-36-28(33)30-22-8-5-7-21(18-22)27-25(20-29)24-10-9-23(19-26(24)32(27)4-2)35-15-6-11-31-12-16-34-17-13-31;1-2-33-25-18-22(36-14-4-11-32-12-15-35-16-13-32)7-8-23(25)24(19-29)26(33)20-5-3-6-21(17-20)31-27(34)30-10-9-28;1-3-30-25-18-22(34-14-6-11-29-12-15-33-16-13-29)9-10-23(25)24(19-27)26(30)20-7-5-8-21(17-20)28-35(31,32)4-2;1-4-31-21-11-12-22-23(15-27)25(29(24(22)14-21)20-9-6-10-20)18-7-5-8-19(13-18)28-26(30)32-16-17(2)3;1-3-5-14-32-25(30)28-19-9-7-18(8-10-19)24-22(17-27)21-12-11-20(31-15-6-13-26)16-23(21)29(24)4-2;1-3-13-31-24(29)27-18-8-6-17(7-9-18)23-21(16-26)20-11-10-19(30-14-5-12-25)15-22(20)28(23)4-2;1-2-28-21-14-18(30-12-3-10-24)8-9-19(21)20(15-26)22(28)16-4-6-17(7-5-16)27-23(29)31-13-11-25;1-3-27-21-14-18(30-13-5-12-24)10-11-19(21)20(15-25)22(27)16-6-8-17(9-7-16)26-23(28)29-4-2;1-3-26-20-13-17(29-12-4-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-2/h4,6-13,16,18H,3,5,14-15,17H2,1-2H3;5,7-10,18-19H,3-4,6,11-17H2,1-2H3,(H,30,33);3,5-8,17-18H,2,4,9-16H2,1H3,(H2,30,31,34);5,7-10,17-18,28H,3-4,6,11-16H2,1-2H3;5,7-8,11-14,17,20H,4,6,9-10,16H2,1-3H3,(H,28,30);7-12,16H,3-6,13-15H2,1-2H3,(H,28,30);6-11,15H,3-5,12-14H2,1-2H3,(H,27,29);4-9,14H,2-3,10-13H2,1H3,(H,27,29);6-11,14H,3-5,12-13H2,1-2H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27).
What are the key properties of butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4607.43 g/mol, XLogP of 56.47, 90 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;1-(2-chloroethyl)-3-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]urea;N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;(4-methoxyphenyl) 2-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]acetate;methyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157122481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).