1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)

C113H133N15O15S5 — CID 161248892

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cc[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cn1ccc2ccc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H25N3O3S.2C23H29N3O3S.C22H23N3O3S.C22H27N3O3S/c1-26-11-10-16-9-8-15(12-21(16)26)14-30(28,29)25-23(27)24-22-19-6-2-4-17(19)13-18-5-3-7-20(18)22;2*1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-18-8-9-24-21(18)12-17;26-22(24-21-18-5-1-3-16(18)12-17-4-2-6-19(17)21)25-29(27,28)13-14-7-8-15-9-10-23-20(15)11-14;1-14(2)18-6-5-7-19(15(3)4)21(18)24-22(26)25-29(27,28)13-16-8-9-17-10-11-23-20(17)12-16/h8-13H,2-7,14H2,1H3,(H2,24,25,27);2*6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);7-12,23H,1-6,13H2,(H2,24,25,26);5-12,14-15,23H,13H2,1-4H3,(H2,24,25,26)
InChIKeyVAZSVISGBVLMOM-UHFFFAOYSA-N
MW2101.73 g/mol
LogP23.42
Rot. Bonds26

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) (PubChem CID 161248892) has the molecular formula C113H133N15O15S5 and a molecular weight of 2101.73 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea).

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)
PubChem CID161248892
Molecular FormulaC113H133N15O15S5
Molecular Weight2101.73 g/mol
Exact Mass2099.87
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cc[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cn1ccc2ccc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H25N3O3S.2C23H29N3O3S.C22H23N3O3S.C22H27N3O3S/c1-26-11-10-16-9-8-15(12-21(16)26)14-30(28,29)25-23(27)24-22-19-6-2-4-17(19)13-18-5-3-7-20(18)22;2*1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-18-8-9-24-21(18)12-17;26-22(24-21-18-5-1-3-16(18)12-17-4-2-6-19(17)21)25-29(27,28)13-14-7-8-15-9-10-23-20(15)11-14;1-14(2)18-6-5-7-19(15(3)4)21(18)24-22(26)25-29(27,28)13-16-8-9-17-10-11-23-20(17)12-16/h8-13H,2-7,14H2,1H3,(H2,24,25,27);2*6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);7-12,23H,1-6,13H2,(H2,24,25,26);5-12,14-15,23H,13H2,1-4H3,(H2,24,25,26)
InChIKeyVAZSVISGBVLMOM-UHFFFAOYSA-N
XLogP23.42
TPSA444.44 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.73
LogP ≤ 523.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) with MolForge

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 157159664
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
CID 157413575
1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea
CID 157419357
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea
CID 157506360
1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]-1,1,2,2-tetradeuterioethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1-[3-[1,1-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;N-methyl-1-[3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methanesulfonamide;N-methyl-1-[3-[1,1,2,2-tetradeuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methanesulfonamide
CID 157518504
1-[3-[2-[bis(trideuteriomethyl)amino]-2,2-dideuterioethyl]-4,6,7-trideuterio-1H-indol-5-yl]-N-methylmethanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-4,6,7-trideuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;N-methyl-1-[4,6,7-trideuterio-3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methanesulfonamide;N-methyl-1-[4,6,7-trideuterio-3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methanesulfonamide;1-[4,6,7-trideuterio-3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;N-(trideuteriomethyl)-1-[4,6,7-trideuterio-3-[2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methanesulfonamide
CID 157518505
1-[3-[2-[bis(trideuteriomethyl)amino]-2,2-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-1,1-dideuterio-N-methylmethanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-2-deuterio-1H-indol-5-yl]-1,1-dideuterio-N-(trideuteriomethyl)methanesulfonamide;1,1-dideuterio-1-[2-deuterio-3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1,1-dideuterio-1-[2-deuterio-3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1,1-dideuterio-1-[2-deuterio-3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1,1-dideuterio-1-[2-deuterio-3-[2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
CID 157518506
1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-4,6,7-trideuterio-1H-indol-5-yl]-1,1-dideuterio-N-(trideuteriomethyl)methanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]-1,1,2,2-tetradeuterioethyl]-4,6,7-trideuterio-1H-indol-5-yl]-1,1-dideuterio-N-methylmethanesulfonamide;1,1-dideuterio-N-methyl-1-[4,6,7-trideuterio-3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methanesulfonamide;1,1-dideuterio-N-methyl-1-[4,6,7-trideuterio-3-[1,1,2,2-tetradeuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methanesulfonamide;1,1-dideuterio-1-[4,6,7-trideuterio-3-[1,1-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1,1-dideuterio-1-[4,6,7-trideuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
CID 157518507
1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-1-deuterioindol-5-yl]-N,1,1-trideuterio-N-methylmethanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]-1,1,2,2-tetradeuterioethyl]-1H-indol-5-yl]-1,1-dideuterio-N-(trideuteriomethyl)methanesulfonamide;1,1-dideuterio-1-[3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1,1-dideuterio-1-[3-[1,1,2,2-tetradeuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;N,1,1-trideuterio-1-[1-deuterio-3-[1,1-dideuterio-2-(dimethylamino)ethyl]indol-5-yl]-N-methylmethanesulfonamide;N,1,1-trideuterio-1-[1-deuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]indol-5-yl]-N-methylmethanesulfonamide
CID 157518508
1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-1,2,4,6,7-pentadeuterioindol-5-yl]-N,1,1-trideuterio-N-(trideuteriomethyl)methanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]-1,1,2,2-tetradeuterioethyl]-1,2,4,6,7-pentadeuterioindol-5-yl]-N,1,1-trideuterio-N-methylmethanesulfonamide;N,1,1-trideuterio-N-methyl-1-[1,2,4,6,7-pentadeuterio-3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]indol-5-yl]methanesulfonamide;N,1,1-trideuterio-N-methyl-1-[1,2,4,6,7-pentadeuterio-3-[1,1,2,2-tetradeuterio-2-[methyl(trideuteriomethyl)amino]ethyl]indol-5-yl]methanesulfonamide;N,1,1-trideuterio-1-[1,2,4,6,7-pentadeuterio-3-[1,1-dideuterio-2-(dimethylamino)ethyl]indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;N,1,1-trideuterio-1-[1,2,4,6,7-pentadeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
CID 157518509
1-[3-[2-[bis(trideuteriomethyl)amino]-2,2-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-methylmethanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[2-deuterio-3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1-[2-deuterio-3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1-[2-deuterio-3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[2-deuterio-3-[2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
CID 157518510
1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2,4,6,7-tetradeuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[3-[2-[bis(trideuteriomethyl)amino]-1,1,2,2-tetradeuterioethyl]-2,4,6,7-tetradeuterio-1H-indol-5-yl]-N-methylmethanesulfonamide;N-methyl-1-[2,4,6,7-tetradeuterio-3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]methanesulfonamide;N-methyl-1-[2,4,6,7-tetradeuterio-3-[1,1,2,2-tetradeuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methanesulfonamide;1-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide;1-[2,4,6,7-tetradeuterio-3-[1,1-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
CID 157518511

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) (CID 161248892) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea).
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cc[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cc[nH]c3c2)c(C(C)C)c1.Cn1ccc2ccc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)?
The InChIKey is VAZSVISGBVLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S.2C23H29N3O3S.C22H23N3O3S.C22H27N3O3S/c1-26-11-10-16-9-8-15(12-21(16)26)14-30(28,29)25-23(27)24-22-19-6-2-4-17(19)13-18-5-3-7-20(18)22;2*1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-18-8-9-24-21(18)12-17;26-22(24-21-18-5-1-3-16(18)12-17-4-2-6-19(17)21)25-29(27,28)13-14-7-8-15-9-10-23-20(15)11-14;1-14(2)18-6-5-7-19(15(3)4)21(18)24-22(26)25-29(27,28)13-16-8-9-17-10-11-23-20(17)12-16/h8-13H,2-7,14H2,1H3,(H2,24,25,27);2*6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);7-12,23H,1-6,13H2,(H2,24,25,26);5-12,14-15,23H,13H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)?
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) has a molecular weight of 2101.73 g/mol, XLogP of 23.42, 26 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea;bis(1-(1H-indol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea) is sourced from PubChem (CID 161248892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).