2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone

C119H163ClN8O16S5 — CID 159834624

IUPAC2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCc4ccccc43)cc2)CC1.CCl
InChIInChI=1S/C26H33NO3S.C26H31NO3S.C23H34N2O4S.C22H34N2O3S.C21H28N2O3S.CH3Cl/c2*1-19(2)31(29,30)18-21-7-11-23(12-8-21)26(28)17-20-9-13-24(14-10-20)27-16-15-22-5-3-4-6-25(22)27;1-16(2)30(28,29)15-18-5-9-19(10-6-18)22(26)14-17-7-11-20(12-8-17)25-13-3-4-21(25)23(24)27;1-16(2)28(26,27)15-18-3-7-19(8-4-18)22(25)13-17-5-9-21(10-6-17)24-12-11-20(23)14-24;1-16(2)27(25,26)15-18-4-8-19(9-5-18)21(24)14-17-6-10-20(11-7-17)23-13-3-12-22-23;1-2/h3-6,9-10,13-14,19,21,23H,7-8,11-12,15-18H2,1-2H3;3-6,9-10,13-16,19,21,23H,7-8,11-12,17-18H2,1-2H3;7-8,11-12,16,18-19,21H,3-6,9-10,13-15H2,1-2H3,(H2,24,27);5-6,9-10,16,18-20H,3-4,7-8,11-15,23H2,1-2H3;3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,1-2H3;1H3/t;;18?,19?,21-;;;/m..0.../s1
InChIKeyNNXAZONIBZOOBP-IRALSNJLSA-N
MW2157.44 g/mol
LogP20.81
Rot. Bonds36

About 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone

2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone (PubChem CID 159834624) has the molecular formula C119H163ClN8O16S5 and a molecular weight of 2157.44 g/mol. Its IUPAC name is 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone
PubChem CID159834624
Molecular FormulaC119H163ClN8O16S5
Molecular Weight2157.44 g/mol
Exact Mass2155.05
IUPAC Name2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCc4ccccc43)cc2)CC1.CCl
InChIInChI=1S/C26H33NO3S.C26H31NO3S.C23H34N2O4S.C22H34N2O3S.C21H28N2O3S.CH3Cl/c2*1-19(2)31(29,30)18-21-7-11-23(12-8-21)26(28)17-20-9-13-24(14-10-20)27-16-15-22-5-3-4-6-25(22)27;1-16(2)30(28,29)15-18-5-9-19(10-6-18)22(26)14-17-7-11-20(12-8-17)25-13-3-4-21(25)23(24)27;1-16(2)28(26,27)15-18-3-7-19(8-4-18)22(25)13-17-5-9-21(10-6-17)24-12-11-20(23)14-24;1-16(2)27(25,26)15-18-4-8-19(9-5-18)21(24)14-17-6-10-20(11-7-17)23-13-3-12-22-23;1-2/h3-6,9-10,13-14,19,21,23H,7-8,11-12,15-18H2,1-2H3;3-6,9-10,13-16,19,21,23H,7-8,11-12,17-18H2,1-2H3;7-8,11-12,16,18-19,21H,3-6,9-10,13-15H2,1-2H3,(H2,24,27);5-6,9-10,16,18-20H,3-4,7-8,11-15,23H2,1-2H3;3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,1-2H3;1H3/t;;18?,19?,21-;;;/m..0.../s1
InChIKeyNNXAZONIBZOOBP-IRALSNJLSA-N
XLogP20.81
TPSA357.63 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.44
LogP ≤ 520.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone with MolForge

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Related Compounds

1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide
CID 157078912
N-(4-acetamidophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-aminophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-(dimethylamino)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-indol-1-ylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 157277254
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-indol-1-ylaniline;N-[(4-aminocyclohexyl)methyl]-4-pyrazol-1-ylaniline;pentakis(2-methylpropane-2-sulfinate);dihydrochloride
CID 157473241
bis(tert-butylsulfonylmethylcyclohexane);1-(4-ethylphenyl)-2,3-dihydroindole;1-(4-ethylphenyl)indole;1-(4-ethylphenyl)pyrazole;1-(4-ethylphenyl)pyrrolidin-3-amine;(2S)-1-(4-ethylphenyl)pyrrolidine-2-carboxamide;tris(methylcyclohexane);tris(2-methylpropane-2-sulfinate)
CID 157529978
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 157772619
(2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole
CID 158215283
5-(7-tert-butylsulfonylheptyl)-1H-indazole;4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide
CID 158917585
5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole
CID 159010535
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 159084040
5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
CID 159290348
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[4-[[4-(2,3-dihydroindol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[(4-indol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;bis(propane-2-sulfinate);N-[4-[(4-pyrazol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
CID 159484659
1-[4-(5-aminopentylamino)phenyl]pyrrolidine-2-carboxamide;N'-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine;N'-(1H-indazol-5-yl)pentane-1,5-diamine;N'-(1H-indol-5-yl)pentane-1,5-diamine;pentakis(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine
CID 159501329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The IUPAC name of 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone (CID 159834624) is 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone.
What is the SMILES notation for 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The canonical SMILES for 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone is CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCc4ccccc43)cc2)CC1.CCl.
What is the InChIKey of 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The InChIKey is NNXAZONIBZOOBP-IRALSNJLSA-N. The full InChI is InChI=1S/C26H33NO3S.C26H31NO3S.C23H34N2O4S.C22H34N2O3S.C21H28N2O3S.CH3Cl/c2*1-19(2)31(29,30)18-21-7-11-23(12-8-21)26(28)17-20-9-13-24(14-10-20)27-16-15-22-5-3-4-6-25(22)27;1-16(2)30(28,29)15-18-5-9-19(10-6-18)22(26)14-17-7-11-20(12-8-17)25-13-3-4-21(25)23(24)27;1-16(2)28(26,27)15-18-3-7-19(8-4-18)22(25)13-17-5-9-21(10-6-17)24-12-11-20(23)14-24;1-16(2)27(25,26)15-18-4-8-19(9-5-18)21(24)14-17-6-10-20(11-7-17)23-13-3-12-22-23;1-2/h3-6,9-10,13-14,19,21,23H,7-8,11-12,15-18H2,1-2H3;3-6,9-10,13-16,19,21,23H,7-8,11-12,17-18H2,1-2H3;7-8,11-12,16,18-19,21H,3-6,9-10,13-15H2,1-2H3,(H2,24,27);5-6,9-10,16,18-20H,3-4,7-8,11-15,23H2,1-2H3;3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,1-2H3;1H3/t;;18?,19?,21-;;;/m..0.../s1.
What are the key properties of 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone?
2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone has a molecular weight of 2157.44 g/mol, XLogP of 20.81, 36 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrrolidin-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;chloromethane;2-[4-(2,3-dihydroindol-1-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-indol-1-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;(2S)-1-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrazol-1-ylphenyl)ethanone is sourced from PubChem (CID 159834624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).