potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid

C161H264Cl2F15KN22O28S5 — CID 159770476

IUPACpotassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid
SMILESC.C.C.CC#N.CC(=O)N(C)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(CCCCCCC(F)(F)F)NC3=O)c(C)c1.CC(C)(C)O.CC(C)(C)[O-].CC(Cl)Cl.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(N)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(NC(=O)CCCCCCC(F)(F)F)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.O=C(O)CCCCCCC(F)(F)F.[2H]C([3H])CC.[K+]
InChIInChI=1S/C30H47F3N4O6S.C30H45F3N4O5S.C27H39F3N4O4S.C26H38F3N5O4S.C22H36N4O5S.C8H13F3O2.C4H10O.C4H9O.C3H8.C2H4Cl2.C2H3N.3CH4.K/c1-21-19-23(36(6)27(40)43-28(3,4)5)20-22(2)24(21)12-18-44(41,42)37-16-14-29(15-17-37,26(34)39)35-25(38)11-9-7-8-10-13-30(31,32)33;1-21-19-23(36(6)27(39)42-28(3,4)5)20-22(2)24(21)12-18-43(40,41)37-16-14-29(15-17-37)26(38)34-25(35-29)11-9-7-8-10-13-30(31,32)33;1-19-17-22(33(4)21(3)35)18-20(2)23(19)10-16-39(37,38)34-14-12-26(13-15-34)25(36)31-24(32-26)9-7-5-6-8-11-27(28,29)30;1-18-16-20(33(3)24(30)36)17-19(2)21(18)9-15-39(37,38)34-13-11-25(12-14-34)23(35)31-22(32-25)8-6-4-5-7-10-26(27,28)29;1-15-13-17(25(6)20(28)31-21(3,4)5)14-16(2)18(15)7-12-32(29,30)26-10-8-22(24,9-11-26)19(23)27;9-8(10,11)6-4-2-1-3-5-7(12)13;2*1-4(2,3)5;1-3-2;1-2(3)4;1-2-3;;;;/h19-20H,7-18H2,1-6H3,(H2,34,39)(H,35,38);19-20H,7-18H2,1-6H3,(H,34,35,38);17-18H,5-16H2,1-4H3,(H,31,32,36);16-17H,4-15H2,1-3H3,(H2,30,36)(H,31,32,35);13-14H,7-12,24H2,1-6H3,(H2,23,27);1-6H2,(H,12,13);5H,1-3H3;1-3H3;3H2,1-2H3;2H,1H3;1H3;3*1H4;/q;;;;;;;-1;;;;;;;+1/i;;;;;;;;1TD;;;;;;
InChIKeyNGAWKVYIIWXSQF-WBJIRNGRSA-N
MW3514.33 g/mol
LogP27.47
Rot. Bonds59

About potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid

potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid (PubChem CID 159770476) has the molecular formula C161H264Cl2F15KN22O28S5 and a molecular weight of 3514.33 g/mol. Its IUPAC name is potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid.

Molecular Properties

Compound Namepotassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid
PubChem CID159770476
Molecular FormulaC161H264Cl2F15KN22O28S5
Molecular Weight3514.33 g/mol
Exact Mass3510.74
IUPAC Namepotassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid
SMILESC.C.C.CC#N.CC(=O)N(C)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(CCCCCCC(F)(F)F)NC3=O)c(C)c1.CC(C)(C)O.CC(C)(C)[O-].CC(Cl)Cl.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(N)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(NC(=O)CCCCCCC(F)(F)F)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.O=C(O)CCCCCCC(F)(F)F.[2H]C([3H])CC.[K+]
InChIInChI=1S/C30H47F3N4O6S.C30H45F3N4O5S.C27H39F3N4O4S.C26H38F3N5O4S.C22H36N4O5S.C8H13F3O2.C4H10O.C4H9O.C3H8.C2H4Cl2.C2H3N.3CH4.K/c1-21-19-23(36(6)27(40)43-28(3,4)5)20-22(2)24(21)12-18-44(41,42)37-16-14-29(15-17-37,26(34)39)35-25(38)11-9-7-8-10-13-30(31,32)33;1-21-19-23(36(6)27(39)42-28(3,4)5)20-22(2)24(21)12-18-43(40,41)37-16-14-29(15-17-37)26(38)34-25(35-29)11-9-7-8-10-13-30(31,32)33;1-19-17-22(33(4)21(3)35)18-20(2)23(19)10-16-39(37,38)34-14-12-26(13-15-34)25(36)31-24(32-26)9-7-5-6-8-11-27(28,29)30;1-18-16-20(33(3)24(30)36)17-19(2)21(18)9-15-39(37,38)34-13-11-25(12-14-34)23(35)31-22(32-25)8-6-4-5-7-10-26(27,28)29;1-15-13-17(25(6)20(28)31-21(3,4)5)14-16(2)18(15)7-12-32(29,30)26-10-8-22(24,9-11-26)19(23)27;9-8(10,11)6-4-2-1-3-5-7(12)13;2*1-4(2,3)5;1-3-2;1-2(3)4;1-2-3;;;;/h19-20H,7-18H2,1-6H3,(H2,34,39)(H,35,38);19-20H,7-18H2,1-6H3,(H,34,35,38);17-18H,5-16H2,1-4H3,(H,31,32,36);16-17H,4-15H2,1-3H3,(H2,30,36)(H,31,32,35);13-14H,7-12,24H2,1-6H3,(H2,23,27);1-6H2,(H,12,13);5H,1-3H3;1-3H3;3H2,1-2H3;2H,1H3;1H3;3*1H4;/q;;;;;;;-1;;;;;;;+1/i;;;;;;;;1TD;;;;;;
InChIKeyNGAWKVYIIWXSQF-WBJIRNGRSA-N
XLogP27.47
TPSA712.22 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds59
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003514.33
LogP ≤ 527.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid?
The IUPAC name of potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid (CID 159770476) is potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid.
What is the SMILES notation for potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid?
The canonical SMILES for potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid is C.C.C.CC#N.CC(=O)N(C)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(CCCCCCC(F)(F)F)NC3=O)c(C)c1.CC(C)(C)O.CC(C)(C)[O-].CC(Cl)Cl.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(N)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(NC(=O)CCCCCCC(F)(F)F)(C(N)=O)CC1.Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(CCCCCCC(F)(F)F)NC2=O.O=C(O)CCCCCCC(F)(F)F.[2H]C([3H])CC.[K+].
What is the InChIKey of potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid?
The InChIKey is NGAWKVYIIWXSQF-WBJIRNGRSA-N. The full InChI is InChI=1S/C30H47F3N4O6S.C30H45F3N4O5S.C27H39F3N4O4S.C26H38F3N5O4S.C22H36N4O5S.C8H13F3O2.C4H10O.C4H9O.C3H8.C2H4Cl2.C2H3N.3CH4.K/c1-21-19-23(36(6)27(40)43-28(3,4)5)20-22(2)24(21)12-18-44(41,42)37-16-14-29(15-17-37,26(34)39)35-25(38)11-9-7-8-10-13-30(31,32)33;1-21-19-23(36(6)27(39)42-28(3,4)5)20-22(2)24(21)12-18-43(40,41)37-16-14-29(15-17-37)26(38)34-25(35-29)11-9-7-8-10-13-30(31,32)33;1-19-17-22(33(4)21(3)35)18-20(2)23(19)10-16-39(37,38)34-14-12-26(13-15-34)25(36)31-24(32-26)9-7-5-6-8-11-27(28,29)30;1-18-16-20(33(3)24(30)36)17-19(2)21(18)9-15-39(37,38)34-13-11-25(12-14-34)23(35)31-22(32-25)8-6-4-5-7-10-26(27,28)29;1-15-13-17(25(6)20(28)31-21(3,4)5)14-16(2)18(15)7-12-32(29,30)26-10-8-22(24,9-11-26)19(23)27;9-8(10,11)6-4-2-1-3-5-7(12)13;2*1-4(2,3)5;1-3-2;1-2(3)4;1-2-3;;;;/h19-20H,7-18H2,1-6H3,(H2,34,39)(H,35,38);19-20H,7-18H2,1-6H3,(H,34,35,38);17-18H,5-16H2,1-4H3,(H,31,32,36);16-17H,4-15H2,1-3H3,(H2,30,36)(H,31,32,35);13-14H,7-12,24H2,1-6H3,(H2,23,27);1-6H2,(H,12,13);5H,1-3H3;1-3H3;3H2,1-2H3;2H,1H3;1H3;3*1H4;/q;;;;;;;-1;;;;;;;+1/i;;;;;;;;1TD;;;;;;.
What are the key properties of potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid?
potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid has a molecular weight of 3514.33 g/mol, XLogP of 27.47, 59 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetonitrile;tert-butyl N-[4-[2-(4-amino-4-carbamoylpiperidin-1-yl)sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[4-[2-[4-carbamoyl-4-(8,8,8-trifluorooctanoylamino)piperidin-1-yl]sulfonylethyl]-3,5-dimethylphenyl]-N-methylcarbamate;tert-butyl N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylcarbamate;1-deuterio-1-tritiopropane;1,1-dichloroethane;N-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-N-methylacetamide;1-[3,5-dimethyl-4-[2-[[4-oxo-2-(7,7,7-trifluoroheptyl)-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1-methylurea;methane;2-methylpropan-2-ol;2-methylpropan-2-olate;8,8,8-trifluorooctanoic acid is sourced from PubChem (CID 159770476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).