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

C117H145N15O15S5 — CID 161222193

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2c(ccn2C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ccc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cn1ccc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21
InChIInChI=1S/2C24H31N3O3S.C23H25N3O3S.2C23H29N3O3S/c2*1-15(2)20-11-17(5)12-21(16(3)4)23(20)25-24(28)26-31(29,30)14-18-7-8-22-19(13-18)9-10-27(22)6;1-26-11-10-18-12-15(8-9-21(18)26)14-30(28,29)25-23(27)24-22-19-6-2-4-16(19)13-17-5-3-7-20(17)22;1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-21-18(12-17)8-9-24-21;1-15(2)19-7-6-8-20(16(3)4)22(19)24-23(27)25-30(28,29)14-17-9-10-21-18(13-17)11-12-26(21)5/h2*7-13,15-16H,14H2,1-6H3,(H2,25,26,28);8-13H,2-7,14H2,1H3,(H2,24,25,27);6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);6-13,15-16H,14H2,1-5H3,(H2,24,25,27)
InChIKeyUXQWENYGPSQJDV-UHFFFAOYSA-N
MW2161.87 g/mol
LogP25.03
Rot. Bonds28

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

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea) (PubChem CID 161222193) has the molecular formula C117H145N15O15S5 and a molecular weight of 2161.87 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea).

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)
PubChem CID161222193
Molecular FormulaC117H145N15O15S5
Molecular Weight2161.87 g/mol
Exact Mass2159.96
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2c(ccn2C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ccc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cn1ccc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21
InChIInChI=1S/2C24H31N3O3S.C23H25N3O3S.2C23H29N3O3S/c2*1-15(2)20-11-17(5)12-21(16(3)4)23(20)25-24(28)26-31(29,30)14-18-7-8-22-19(13-18)9-10-27(22)6;1-26-11-10-18-12-15(8-9-21(18)26)14-30(28,29)25-23(27)24-22-19-6-2-4-16(19)13-17-5-3-7-20(17)22;1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-21-18(12-17)8-9-24-21;1-15(2)19-7-6-8-20(16(3)4)22(19)24-23(27)25-30(28,29)14-17-9-10-21-18(13-17)11-12-26(21)5/h2*7-13,15-16H,14H2,1-6H3,(H2,25,26,28);8-13H,2-7,14H2,1H3,(H2,24,25,27);6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);6-13,15-16H,14H2,1-5H3,(H2,24,25,27)
InChIKeyUXQWENYGPSQJDV-UHFFFAOYSA-N
XLogP25.03
TPSA411.86 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.87
LogP ≤ 525.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

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

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Related Compounds

1-[5-(2,3-dihydroindol-1-yl)-2,4-bis(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-6-(trithian-4-yl)phenyl]indolizine
CID 141195863
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-[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-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea) (CID 161222193) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea).
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea) is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2c(ccn2C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ccc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3c(ccn3C)c2)c(C(C)C)c1.Cn1ccc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)?
The InChIKey is UXQWENYGPSQJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H31N3O3S.C23H25N3O3S.2C23H29N3O3S/c2*1-15(2)20-11-17(5)12-21(16(3)4)23(20)25-24(28)26-31(29,30)14-18-7-8-22-19(13-18)9-10-27(22)6;1-26-11-10-18-12-15(8-9-21(18)26)14-30(28,29)25-23(27)24-22-19-6-2-4-16(19)13-17-5-3-7-20(17)22;1-14(2)19-10-16(5)11-20(15(3)4)22(19)25-23(27)26-30(28,29)13-17-6-7-21-18(12-17)8-9-24-21;1-15(2)19-7-6-8-20(16(3)4)22(19)24-23(27)25-30(28,29)14-17-9-10-21-18(13-17)11-12-26(21)5/h2*7-13,15-16H,14H2,1-6H3,(H2,25,26,28);8-13H,2-7,14H2,1H3,(H2,24,25,27);6-12,14-15,24H,13H2,1-5H3,(H2,25,26,27);6-13,15-16H,14H2,1-5H3,(H2,24,25,27).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea)?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea) has a molecular weight of 2161.87 g/mol, XLogP of 25.03, 28 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1H-indol-5-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-methylindol-5-yl)methylsulfonyl]urea) is sourced from PubChem (CID 161222193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).