1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea

C284H302F9N39O26S2 — CID 161064881

IUPAC1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
SMILESCCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C(C)C)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CCC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CC)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CCc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)Cc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(C)=O)cc1)C2C#N.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C28H29N3O2.C27H27N3O2.C25H27N3O3S.C25H29N3O3S.C24H27N3O2.C23H23F3N4O2.C23H25N3O2.C23H27N3O2.C22H21F3N4O2.C22H25N3O2.C21H19F3N4O2.C21H23N3O2/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-8-19(9-7-18)27-32(29,30)21-11-12-21;1-17(2)32(29,30)27-20-10-8-19(9-11-20)25-23(15-26)22-13-12-21(31-3)14-24(22)28(25)16-18-6-4-5-7-18;1-3-27-22-14-19(29-4-2)12-13-20(22)21(15-25)23(27)16-8-10-18(11-9-16)26-24(28)17-6-5-7-17;1-3-5-12-28-22(31)29-16-8-6-15(7-9-16)21-19(14-27)18-11-10-17(32-23(24,25)26)13-20(18)30(21)4-2;1-3-26-21-13-18(28-4-2)11-12-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-6-16;1-5-26-21-13-18(28-6-2)11-12-19(21)20(14-24)22(26)16-7-9-17(10-8-16)25-23(27)15(3)4;1-3-11-27-21(30)28-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)29(20)4-2;1-4-21(26)24-16-9-7-15(8-10-16)22-19(14-23)18-12-11-17(27-6-3)13-20(18)25(22)5-2;1-3-26-20(29)27-14-7-5-13(6-8-14)19-17(12-25)16-10-9-15(30-21(22,23)24)11-18(16)28(19)4-2;1-4-24-20-12-17(26-5-2)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-14(3)25/h5-9,11-16,18,25,28H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17,24,27H,3-4,16H2,1-2H3,(H,29,31);6-10,13-14,17,21,27H,2-5,11-12,16H2,1H3;8-14,17-18,27H,4-7,16H2,1-3H3;8-14,17,21,23H,3-7H2,1-2H3,(H,26,28);6-11,13H,3-5,12H2,1-2H3,(H2,28,29,31);7-13,16,20,22H,3-6H2,1-2H3,(H,25,27);7-13,15,20,22H,5-6H2,1-4H3,(H,25,27);5-10,12H,3-4,11H2,1-2H3,(H2,27,28,30);7-13,19,22H,4-6H2,1-3H3,(H,24,26);5-11H,3-4H2,1-2H3,(H2,26,27,29);6-12,19,21H,4-5H2,1-3H3,(H,23,25)
InChIKeyUDWRSVVINCEIRA-UHFFFAOYSA-N
MW4912.90 g/mol
LogP62.36
Rot. Bonds76

About 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea

1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea (PubChem CID 161064881) has the molecular formula C284H302F9N39O26S2 and a molecular weight of 4912.90 g/mol. Its IUPAC name is 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
PubChem CID161064881
Molecular FormulaC284H302F9N39O26S2
Molecular Weight4912.90 g/mol
Exact Mass4909.28
IUPAC Name1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
SMILESCCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C(C)C)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CCC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CC)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CCc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)Cc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(C)=O)cc1)C2C#N.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C28H29N3O2.C27H27N3O2.C25H27N3O3S.C25H29N3O3S.C24H27N3O2.C23H23F3N4O2.C23H25N3O2.C23H27N3O2.C22H21F3N4O2.C22H25N3O2.C21H19F3N4O2.C21H23N3O2/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-8-19(9-7-18)27-32(29,30)21-11-12-21;1-17(2)32(29,30)27-20-10-8-19(9-11-20)25-23(15-26)22-13-12-21(31-3)14-24(22)28(25)16-18-6-4-5-7-18;1-3-27-22-14-19(29-4-2)12-13-20(22)21(15-25)23(27)16-8-10-18(11-9-16)26-24(28)17-6-5-7-17;1-3-5-12-28-22(31)29-16-8-6-15(7-9-16)21-19(14-27)18-11-10-17(32-23(24,25)26)13-20(18)30(21)4-2;1-3-26-21-13-18(28-4-2)11-12-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-6-16;1-5-26-21-13-18(28-6-2)11-12-19(21)20(14-24)22(26)16-7-9-17(10-8-16)25-23(27)15(3)4;1-3-11-27-21(30)28-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)29(20)4-2;1-4-21(26)24-16-9-7-15(8-10-16)22-19(14-23)18-12-11-17(27-6-3)13-20(18)25(22)5-2;1-3-26-20(29)27-14-7-5-13(6-8-14)19-17(12-25)16-10-9-15(30-21(22,23)24)11-18(16)28(19)4-2;1-4-24-20-12-17(26-5-2)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-14(3)25/h5-9,11-16,18,25,28H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17,24,27H,3-4,16H2,1-2H3,(H,29,31);6-10,13-14,17,21,27H,2-5,11-12,16H2,1H3;8-14,17-18,27H,4-7,16H2,1-3H3;8-14,17,21,23H,3-7H2,1-2H3,(H,26,28);6-11,13H,3-5,12H2,1-2H3,(H2,28,29,31);7-13,16,20,22H,3-6H2,1-2H3,(H,25,27);7-13,15,20,22H,5-6H2,1-4H3,(H,25,27);5-10,12H,3-4,11H2,1-2H3,(H2,27,28,30);7-13,19,22H,4-6H2,1-3H3,(H,24,26);5-11H,3-4H2,1-2H3,(H2,26,27,29);6-12,19,21H,4-5H2,1-3H3,(H,23,25)
InChIKeyUDWRSVVINCEIRA-UHFFFAOYSA-N
XLogP62.36
TPSA863.00 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds76
Heavy Atoms360
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004912.90
LogP ≤ 562.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?
The IUPAC name of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea (CID 161064881) is 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea.
What is the SMILES notation for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?
The canonical SMILES for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea is CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C(C)C)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)C3CCC3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CC)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)CCc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(=O)Cc3ccccc3)cc1)C2C#N.CCOc1ccc2c(c1)N(CC)C(c1ccc(NC(C)=O)cc1)C2C#N.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(CC3CCCC3)c2c1.
What is the InChIKey of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?
The InChIKey is UDWRSVVINCEIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C27H27N3O2.C25H27N3O3S.C25H29N3O3S.C24H27N3O2.C23H23F3N4O2.C23H25N3O2.C23H27N3O2.C22H21F3N4O2.C22H25N3O2.C21H19F3N4O2.C21H23N3O2/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-8-19(9-7-18)27-32(29,30)21-11-12-21;1-17(2)32(29,30)27-20-10-8-19(9-11-20)25-23(15-26)22-13-12-21(31-3)14-24(22)28(25)16-18-6-4-5-7-18;1-3-27-22-14-19(29-4-2)12-13-20(22)21(15-25)23(27)16-8-10-18(11-9-16)26-24(28)17-6-5-7-17;1-3-5-12-28-22(31)29-16-8-6-15(7-9-16)21-19(14-27)18-11-10-17(32-23(24,25)26)13-20(18)30(21)4-2;1-3-26-21-13-18(28-4-2)11-12-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-6-16;1-5-26-21-13-18(28-6-2)11-12-19(21)20(14-24)22(26)16-7-9-17(10-8-16)25-23(27)15(3)4;1-3-11-27-21(30)28-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)29(20)4-2;1-4-21(26)24-16-9-7-15(8-10-16)22-19(14-23)18-12-11-17(27-6-3)13-20(18)25(22)5-2;1-3-26-20(29)27-14-7-5-13(6-8-14)19-17(12-25)16-10-9-15(30-21(22,23)24)11-18(16)28(19)4-2;1-4-24-20-12-17(26-5-2)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-14(3)25/h5-9,11-16,18,25,28H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17,24,27H,3-4,16H2,1-2H3,(H,29,31);6-10,13-14,17,21,27H,2-5,11-12,16H2,1H3;8-14,17-18,27H,4-7,16H2,1-3H3;8-14,17,21,23H,3-7H2,1-2H3,(H,26,28);6-11,13H,3-5,12H2,1-2H3,(H2,28,29,31);7-13,16,20,22H,3-6H2,1-2H3,(H,25,27);7-13,15,20,22H,5-6H2,1-4H3,(H,25,27);5-10,12H,3-4,11H2,1-2H3,(H2,27,28,30);7-13,19,22H,4-6H2,1-3H3,(H,24,26);5-11H,3-4H2,1-2H3,(H2,26,27,29);6-12,19,21H,4-5H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?
1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea has a molecular weight of 4912.90 g/mol, XLogP of 62.36, 76 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]-3-phenylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethyl-2,3-dihydroindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea is sourced from PubChem (CID 161064881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).