2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide

C211H212N40O28S11 — CID 160969230

IUPAC2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)o1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(SCCn3cncn3)ccc12
InChIInChI=1S/C27H27N5O3S.C27H28N4O4S.C27H29N3O4S.C26H26N6O4S2.C26H26N6O3S2.C26H26N6O2S2.2C26H25N5O4S/c1-17-16-31(2)27(29-17)35-21-10-13-23-24(15-28)26(32(25(23)14-21)20-4-3-5-20)18-6-8-19(9-7-18)30-36(33,34)22-11-12-22;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22;27-15-24-23-11-8-21(35-13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-29-25(35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21;1-16-28-25(29-35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h6-10,13-14,16,20,22,30H,3-5,11-12H2,1-2H3;4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;2*5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeySYARUKALCVLLLO-UHFFFAOYSA-N
MW4109.01 g/mol
LogP38.91
Rot. Bonds66

About 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide

2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 160969230) has the molecular formula C211H212N40O28S11 and a molecular weight of 4109.01 g/mol. Its IUPAC name is 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound Name2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide
PubChem CID160969230
Molecular FormulaC211H212N40O28S11
Molecular Weight4109.01 g/mol
Exact Mass4105.33
IUPAC Name2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide
SMILESCc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)o1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(SCCn3cncn3)ccc12
InChIInChI=1S/C27H27N5O3S.C27H28N4O4S.C27H29N3O4S.C26H26N6O4S2.C26H26N6O3S2.C26H26N6O2S2.2C26H25N5O4S/c1-17-16-31(2)27(29-17)35-21-10-13-23-24(15-28)26(32(25(23)14-21)20-4-3-5-20)18-6-8-19(9-7-18)30-36(33,34)22-11-12-22;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22;27-15-24-23-11-8-21(35-13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-29-25(35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21;1-16-28-25(29-35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h6-10,13-14,16,20,22,30H,3-5,11-12H2,1-2H3;4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;2*5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeySYARUKALCVLLLO-UHFFFAOYSA-N
XLogP38.91
TPSA922.60 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds66
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004109.01
LogP ≤ 538.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide (CID 160969230) is 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide is Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NS(=O)(=O)C5CC5)cc4)n(C4CCC4)c3c2)o1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(SCCn3cncn3)ccc12.
What is the InChIKey of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is SYARUKALCVLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3S.C27H28N4O4S.C27H29N3O4S.C26H26N6O4S2.C26H26N6O3S2.C26H26N6O2S2.2C26H25N5O4S/c1-17-16-31(2)27(29-17)35-21-10-13-23-24(15-28)26(32(25(23)14-21)20-4-3-5-20)18-6-8-19(9-7-18)30-36(33,34)22-11-12-22;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22;27-15-24-23-11-8-21(35-13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-29-25(35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21;1-16-28-25(29-35-16)15-34-20-9-12-22-23(14-27)26(31(24(22)13-20)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h6-10,13-14,16,20,22,30H,3-5,11-12H2,1-2H3;4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;2*5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3.
What are the key properties of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide?
2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 4109.01 g/mol, XLogP of 38.91, 66 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 160969230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).