benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

C275H260Cl3F13N36O32S4 — CID 157160921

IUPACbenzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
SMILESC#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.CCC(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NC(=O)CCl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.COc1ccc(OC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3C(C)C)c2)cc1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCCCl)c3)n(C(C)C)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCc4ccccc4)c3)n(C(C)C)c2c1
InChIInChI=1S/C27H25N3O4.C27H25N3O3.C25H18F3N3O.C23H25N3O4.C23H21N3O3.C22H23ClFN3O3S.C22H22ClN3O3.C22H22FN3O3S.C22H24FN3O3S.C21H18F3N3O.C21H22FN3O3S.C20H15ClF3N3O/c1-17(2)30-25-15-22(33-4)12-13-23(25)24(16-28)26(30)18-6-5-7-19(14-18)29-27(31)34-21-10-8-20(32-3)9-11-21;1-18(2)30-25-15-22(32-3)12-13-23(25)24(16-28)26(30)20-10-7-11-21(14-20)29-27(31)33-17-19-8-5-4-6-9-19;1-2-31-22-14-18(25(26,27)28)11-12-20(22)21(15-29)23(31)17-9-6-10-19(13-17)30-24(32)16-7-4-3-5-8-16;1-15(2)26-21-13-18(29-4)8-9-19(21)20(14-24)22(26)16-6-5-7-17(12-16)25-23(27)30-11-10-28-3;1-5-11-29-23(27)25-17-8-6-7-16(12-17)22-20(14-24)19-10-9-18(28-4)13-21(19)26(22)15(2)3;1-2-27-21-14-18(30-12-11-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-31(28,29)13-3-10-23;1-14(2)26-20-12-17(28-3)7-8-18(20)19(13-24)21(26)15-5-4-6-16(11-15)25-22(27)29-10-9-23;1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18;1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-19(28)26-15-7-5-6-13(10-15)20-17(12-25)16-9-8-14(21(22,23)24)11-18(16)27(20)4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2;1-2-27-17-9-13(20(22,23)24)6-7-15(17)16(11-25)19(27)12-4-3-5-14(8-12)26-18(28)10-21/h5-15,17H,1-4H3,(H,29,31);4-15,18H,17H2,1-3H3,(H,29,31);3-14H,2H2,1H3,(H,30,32);5-9,12-13,15H,10-11H2,1-4H3,(H,25,27);1,6-10,12-13,15H,11H2,2-4H3,(H,25,27);4-9,14,26H,2-3,10-13H2,1H3;4-8,11-12,14H,9-10H2,1-3H3,(H,25,27);3-7,10,13,18,25H,2,8-9,11-12H2,1H3;5-10,14,25H,3-4,11-13H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);5-10,13,24H,3-4,11-12H2,1-2H3;3-9H,2,10H2,1H3,(H,26,28)
InChIKeyAMJDDEMUDWZKJP-UHFFFAOYSA-N
MW5062.93 g/mol
LogP64.19
Rot. Bonds77

About benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (PubChem CID 157160921) has the molecular formula C275H260Cl3F13N36O32S4 and a molecular weight of 5062.93 g/mol. Its IUPAC name is benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
PubChem CID157160921
Molecular FormulaC275H260Cl3F13N36O32S4
Molecular Weight5062.93 g/mol
Exact Mass5057.76
IUPAC Namebenzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
SMILESC#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.CCC(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NC(=O)CCl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.COc1ccc(OC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3C(C)C)c2)cc1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCCCl)c3)n(C(C)C)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCc4ccccc4)c3)n(C(C)C)c2c1
InChIInChI=1S/C27H25N3O4.C27H25N3O3.C25H18F3N3O.C23H25N3O4.C23H21N3O3.C22H23ClFN3O3S.C22H22ClN3O3.C22H22FN3O3S.C22H24FN3O3S.C21H18F3N3O.C21H22FN3O3S.C20H15ClF3N3O/c1-17(2)30-25-15-22(33-4)12-13-23(25)24(16-28)26(30)18-6-5-7-19(14-18)29-27(31)34-21-10-8-20(32-3)9-11-21;1-18(2)30-25-15-22(32-3)12-13-23(25)24(16-28)26(30)20-10-7-11-21(14-20)29-27(31)33-17-19-8-5-4-6-9-19;1-2-31-22-14-18(25(26,27)28)11-12-20(22)21(15-29)23(31)17-9-6-10-19(13-17)30-24(32)16-7-4-3-5-8-16;1-15(2)26-21-13-18(29-4)8-9-19(21)20(14-24)22(26)16-6-5-7-17(12-16)25-23(27)30-11-10-28-3;1-5-11-29-23(27)25-17-8-6-7-16(12-17)22-20(14-24)19-10-9-18(28-4)13-21(19)26(22)15(2)3;1-2-27-21-14-18(30-12-11-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-31(28,29)13-3-10-23;1-14(2)26-20-12-17(28-3)7-8-18(20)19(13-24)21(26)15-5-4-6-16(11-15)25-22(27)29-10-9-23;1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18;1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-19(28)26-15-7-5-6-13(10-15)20-17(12-25)16-9-8-14(21(22,23)24)11-18(16)27(20)4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2;1-2-27-17-9-13(20(22,23)24)6-7-15(17)16(11-25)19(27)12-4-3-5-14(8-12)26-18(28)10-21/h5-15,17H,1-4H3,(H,29,31);4-15,18H,17H2,1-3H3,(H,29,31);3-14H,2H2,1H3,(H,30,32);5-9,12-13,15H,10-11H2,1-4H3,(H,25,27);1,6-10,12-13,15H,11H2,2-4H3,(H,25,27);4-9,14,26H,2-3,10-13H2,1H3;4-8,11-12,14H,9-10H2,1-3H3,(H,25,27);3-7,10,13,18,25H,2,8-9,11-12H2,1H3;5-10,14,25H,3-4,11-13H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);5-10,13,24H,3-4,11-12H2,1-2H3;3-9H,2,10H2,1H3,(H,26,28)
InChIKeyAMJDDEMUDWZKJP-UHFFFAOYSA-N
XLogP64.19
TPSA909.80 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds77
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005062.93
LogP ≤ 564.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Analyze benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (CID 157160921) is benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is C#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.CCC(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NC(=O)CCl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.COc1ccc(OC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3C(C)C)c2)cc1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCCCl)c3)n(C(C)C)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCc4ccccc4)c3)n(C(C)C)c2c1.
What is the InChIKey of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The InChIKey is AMJDDEMUDWZKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C27H25N3O3.C25H18F3N3O.C23H25N3O4.C23H21N3O3.C22H23ClFN3O3S.C22H22ClN3O3.C22H22FN3O3S.C22H24FN3O3S.C21H18F3N3O.C21H22FN3O3S.C20H15ClF3N3O/c1-17(2)30-25-15-22(33-4)12-13-23(25)24(16-28)26(30)18-6-5-7-19(14-18)29-27(31)34-21-10-8-20(32-3)9-11-21;1-18(2)30-25-15-22(32-3)12-13-23(25)24(16-28)26(30)20-10-7-11-21(14-20)29-27(31)33-17-19-8-5-4-6-9-19;1-2-31-22-14-18(25(26,27)28)11-12-20(22)21(15-29)23(31)17-9-6-10-19(13-17)30-24(32)16-7-4-3-5-8-16;1-15(2)26-21-13-18(29-4)8-9-19(21)20(14-24)22(26)16-6-5-7-17(12-16)25-23(27)30-11-10-28-3;1-5-11-29-23(27)25-17-8-6-7-16(12-17)22-20(14-24)19-10-9-18(28-4)13-21(19)26(22)15(2)3;1-2-27-21-14-18(30-12-11-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-31(28,29)13-3-10-23;1-14(2)26-20-12-17(28-3)7-8-18(20)19(13-24)21(26)15-5-4-6-16(11-15)25-22(27)29-10-9-23;1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18;1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-19(28)26-15-7-5-6-13(10-15)20-17(12-25)16-9-8-14(21(22,23)24)11-18(16)27(20)4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2;1-2-27-17-9-13(20(22,23)24)6-7-15(17)16(11-25)19(27)12-4-3-5-14(8-12)26-18(28)10-21/h5-15,17H,1-4H3,(H,29,31);4-15,18H,17H2,1-3H3,(H,29,31);3-14H,2H2,1H3,(H,30,32);5-9,12-13,15H,10-11H2,1-4H3,(H,25,27);1,6-10,12-13,15H,11H2,2-4H3,(H,25,27);4-9,14,26H,2-3,10-13H2,1H3;4-8,11-12,14H,9-10H2,1-3H3,(H,25,27);3-7,10,13,18,25H,2,8-9,11-12H2,1H3;5-10,14,25H,3-4,11-13H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);5-10,13,24H,3-4,11-12H2,1-2H3;3-9H,2,10H2,1H3,(H,26,28).
What are the key properties of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?
benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate has a molecular weight of 5062.93 g/mol, XLogP of 64.19, 77 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloro-N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157160921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).