N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea

C262H271F18N39O27S9 — CID 157133551

IUPACN-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea
SMILESC=CCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OC)ccc21.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O2S.C23H26N4O2.C23H24N4O2.2C22H22F3N3O2S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.2C21H20F3N3O2S.C21H23N3O3S.C20H18F3N3O2S/c1-4-13-29(32(30,31)6-3)18-10-7-16(8-11-18)22-20(15-27)19-12-9-17(23(24,25)26)14-21(19)28(22)5-2;2*1-4-12-25-23(28)26-17-8-6-16(7-9-17)22-20(15-24)19-14-18(29-3)10-11-21(19)27(22)13-5-2;1-4-12-28(31(3,29)30)17-9-6-15(7-10-17)21-19(14-26)18-11-8-16(22(23,24)25)13-20(18)27(21)5-2;1-4-27-20-13-16(22(23,24)25)9-12-18(20)19(14-26)21(27)15-7-10-17(11-8-15)28(5-2)31(29,30)6-3;1-4-12-26-20-11-10-17(28-3)13-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-3-12-25-21-11-8-17(28-2)13-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-5-12-25-21-11-10-18(28-4)13-19(21)20(14-23)22(25)16-6-8-17(9-7-16)24-29(26,27)15(2)3;1-4-26-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(26)14-6-9-16(10-7-14)27(5-2)30(3,28)29;1-4-27-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(27)14-6-9-16(10-7-14)26(3)30(28,29)5-2;1-4-12-24-20-11-10-17(27-3)13-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)29(3,27)28/h7-12,14H,4-6,13H2,1-3H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4,6-11,14H,1,5,12-13H2,2-3H3,(H2,25,26,28);6-11,13H,4-5,12H2,1-3H3;7-13H,4-6H2,1-3H3;6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);4-8,11,13,18,24H,3,9-10,12H2,1-2H3;6-11,13,15,24H,5,12H2,1-4H3;2*6-12H,4-5H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;5-11H,4H2,1-3H3
InChIKeyAJIUSFHMWYBGDP-UHFFFAOYSA-N
MW5028.86 g/mol
LogP59.59
Rot. Bonds74

About N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea

N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea (PubChem CID 157133551) has the molecular formula C262H271F18N39O27S9 and a molecular weight of 5028.86 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea
PubChem CID157133551
Molecular FormulaC262H271F18N39O27S9
Molecular Weight5028.86 g/mol
Exact Mass5024.82
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea
SMILESC=CCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OC)ccc21.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O2S.C23H26N4O2.C23H24N4O2.2C22H22F3N3O2S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.2C21H20F3N3O2S.C21H23N3O3S.C20H18F3N3O2S/c1-4-13-29(32(30,31)6-3)18-10-7-16(8-11-18)22-20(15-27)19-12-9-17(23(24,25)26)14-21(19)28(22)5-2;2*1-4-12-25-23(28)26-17-8-6-16(7-9-17)22-20(15-24)19-14-18(29-3)10-11-21(19)27(22)13-5-2;1-4-12-28(31(3,29)30)17-9-6-15(7-10-17)21-19(14-26)18-11-8-16(22(23,24)25)13-20(18)27(21)5-2;1-4-27-20-13-16(22(23,24)25)9-12-18(20)19(14-26)21(27)15-7-10-17(11-8-15)28(5-2)31(29,30)6-3;1-4-12-26-20-11-10-17(28-3)13-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-3-12-25-21-11-8-17(28-2)13-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-5-12-25-21-11-10-18(28-4)13-19(21)20(14-23)22(25)16-6-8-17(9-7-16)24-29(26,27)15(2)3;1-4-26-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(26)14-6-9-16(10-7-14)27(5-2)30(3,28)29;1-4-27-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(27)14-6-9-16(10-7-14)26(3)30(28,29)5-2;1-4-12-24-20-11-10-17(27-3)13-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)29(3,27)28/h7-12,14H,4-6,13H2,1-3H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4,6-11,14H,1,5,12-13H2,2-3H3,(H2,25,26,28);6-11,13H,4-5,12H2,1-3H3;7-13H,4-6H2,1-3H3;6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);4-8,11,13,18,24H,3,9-10,12H2,1-2H3;6-11,13,15,24H,5,12H2,1-4H3;2*6-12H,4-5H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;5-11H,4H2,1-3H3
InChIKeyAJIUSFHMWYBGDP-UHFFFAOYSA-N
XLogP59.59
TPSA886.20 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds74
Heavy Atoms355
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005028.86
LogP ≤ 559.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea (CID 157133551) is N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea is C=CCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OC)ccc21.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(=O)(=O)CC.CCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O.CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The InChIKey is AJIUSFHMWYBGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S.C23H26N4O2.C23H24N4O2.2C22H22F3N3O2S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.2C21H20F3N3O2S.C21H23N3O3S.C20H18F3N3O2S/c1-4-13-29(32(30,31)6-3)18-10-7-16(8-11-18)22-20(15-27)19-12-9-17(23(24,25)26)14-21(19)28(22)5-2;2*1-4-12-25-23(28)26-17-8-6-16(7-9-17)22-20(15-24)19-14-18(29-3)10-11-21(19)27(22)13-5-2;1-4-12-28(31(3,29)30)17-9-6-15(7-10-17)21-19(14-26)18-11-8-16(22(23,24)25)13-20(18)27(21)5-2;1-4-27-20-13-16(22(23,24)25)9-12-18(20)19(14-26)21(27)15-7-10-17(11-8-15)28(5-2)31(29,30)6-3;1-4-12-26-20-11-10-17(28-3)13-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-3-12-25-21-11-8-17(28-2)13-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-5-12-25-21-11-10-18(28-4)13-19(21)20(14-23)22(25)16-6-8-17(9-7-16)24-29(26,27)15(2)3;1-4-26-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(26)14-6-9-16(10-7-14)27(5-2)30(3,28)29;1-4-27-19-12-15(21(22,23)24)8-11-17(19)18(13-25)20(27)14-6-9-16(10-7-14)26(3)30(28,29)5-2;1-4-12-24-20-11-10-17(27-3)13-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2;1-4-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25(2)29(3,27)28/h7-12,14H,4-6,13H2,1-3H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4,6-11,14H,1,5,12-13H2,2-3H3,(H2,25,26,28);6-11,13H,4-5,12H2,1-3H3;7-13H,4-6H2,1-3H3;6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);4-8,11,13,18,24H,3,9-10,12H2,1-2H3;6-11,13,15,24H,5,12H2,1-4H3;2*6-12H,4-5H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;5-11H,4H2,1-3H3.
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea has a molecular weight of 5028.86 g/mol, XLogP of 59.59, 74 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-ethylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-N-propylmethanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;N-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 157133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).