propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate

C274H286N50O32S8 — CID 159163170

IUPACpropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCc4ncncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCOC2)cc1
InChIInChI=1S/C28H28N6O2S.2C28H29N5O4S.C28H29N5O3S.C28H29N5O2S.C28H31N3O4.C27H28N6O4S.C27H28N6O3S.C27H28N6O2S.C25H27N3O4/c1-18(2)36-28(35)33-20-8-6-19(7-9-20)27-24(15-29)23-11-10-22(14-25(23)34(27)21-4-3-5-21)37-13-12-26-31-16-30-17-32-26;1-19(2)37-28(34)31-21-9-7-20(8-10-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-5-3-6-22)38(35,36)16-15-32-14-4-13-30-32;1-19(2)37-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)38(35,36)15-14-32-13-12-30-18-32;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)37(35)15-14-32-13-12-30-18-32;1-19(2)35-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)34-28(32)30-20-8-6-19(7-9-20)27-25(17-29)24-11-10-23(35-22-12-14-33-15-13-22)16-26(24)31(27)21-4-3-5-21;1-18(2)37-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)38(35,36)13-12-32-17-29-16-30-32;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)37(35)13-12-32-17-29-16-30-32;1-18(2)35-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;1-3-12-32-25(29)27-18-7-5-17(6-8-18)24-22(15-26)21-10-9-20(31-4-2)14-23(21)28(24)19-11-13-30-16-19/h6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,33,35);4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-11,16,18,21-22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);5-10,14,19H,3-4,11-13,16H2,1-2H3,(H,27,29)
InChIKeyKKTCSXFQGATCPS-UHFFFAOYSA-N
MW5048.16 g/mol
LogP58.52
Rot. Bonds77

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate (PubChem CID 159163170) has the molecular formula C274H286N50O32S8 and a molecular weight of 5048.16 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate
PubChem CID159163170
Molecular FormulaC274H286N50O32S8
Molecular Weight5048.16 g/mol
Exact Mass5044.01
IUPAC Namepropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCc4ncncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCOC2)cc1
InChIInChI=1S/C28H28N6O2S.2C28H29N5O4S.C28H29N5O3S.C28H29N5O2S.C28H31N3O4.C27H28N6O4S.C27H28N6O3S.C27H28N6O2S.C25H27N3O4/c1-18(2)36-28(35)33-20-8-6-19(7-9-20)27-24(15-29)23-11-10-22(14-25(23)34(27)21-4-3-5-21)37-13-12-26-31-16-30-17-32-26;1-19(2)37-28(34)31-21-9-7-20(8-10-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-5-3-6-22)38(35,36)16-15-32-14-4-13-30-32;1-19(2)37-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)38(35,36)15-14-32-13-12-30-18-32;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)37(35)15-14-32-13-12-30-18-32;1-19(2)35-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)34-28(32)30-20-8-6-19(7-9-20)27-25(17-29)24-11-10-23(35-22-12-14-33-15-13-22)16-26(24)31(27)21-4-3-5-21;1-18(2)37-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)38(35,36)13-12-32-17-29-16-30-32;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)37(35)13-12-32-17-29-16-30-32;1-18(2)35-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;1-3-12-32-25(29)27-18-7-5-17(6-8-18)24-22(15-26)21-10-9-20(31-4-2)14-23(21)28(24)19-11-13-30-16-19/h6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,33,35);4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-11,16,18,21-22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);5-10,14,19H,3-4,11-13,16H2,1-2H3,(H,27,29)
InChIKeyKKTCSXFQGATCPS-UHFFFAOYSA-N
XLogP58.52
TPSA1046.06 Ų
H-Bond Donors10
H-Bond Acceptors75
Rotatable Bonds77
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005048.16
LogP ≤ 558.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1075

Analyze propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate with MolForge

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What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate (CID 159163170) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCc4ncncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCOC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate?
The InChIKey is KKTCSXFQGATCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2S.2C28H29N5O4S.C28H29N5O3S.C28H29N5O2S.C28H31N3O4.C27H28N6O4S.C27H28N6O3S.C27H28N6O2S.C25H27N3O4/c1-18(2)36-28(35)33-20-8-6-19(7-9-20)27-24(15-29)23-11-10-22(14-25(23)34(27)21-4-3-5-21)37-13-12-26-31-16-30-17-32-26;1-19(2)37-28(34)31-21-9-7-20(8-10-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-5-3-6-22)38(35,36)16-15-32-14-4-13-30-32;1-19(2)37-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)38(35,36)15-14-32-13-12-30-18-32;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(16-26(24)33(27)22-4-3-5-22)37(35)15-14-32-13-12-30-18-32;1-19(2)35-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(36-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)34-28(32)30-20-8-6-19(7-9-20)27-25(17-29)24-11-10-23(35-22-12-14-33-15-13-22)16-26(24)31(27)21-4-3-5-21;1-18(2)37-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)38(35,36)13-12-32-17-29-16-30-32;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(14-25(23)33(26)21-4-3-5-21)37(35)13-12-32-17-29-16-30-32;1-18(2)35-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(36-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;1-3-12-32-25(29)27-18-7-5-17(6-8-18)24-22(15-26)21-10-9-20(31-4-2)14-23(21)28(24)19-11-13-30-16-19/h6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,33,35);4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);6-11,16,18,21-22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);5-10,14,19H,3-4,11-13,16H2,1-2H3,(H,27,29).
What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 5048.16 g/mol, XLogP of 58.52, 77 rotatable bonds, 10 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethylsulfonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3,5-triazin-2-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-6-ethoxy-1-(oxolan-3-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).