2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline

C168H268N4O22S7 — CID 172928634

IUPAC2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
SMILESCCC(C)(C)S(=O)(=O)CC1CCC(CCCCc2cccc(CC(=O)OC)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CC=CCC3)cc2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3nc(C)ccc3c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(/C(C)=N/O)c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(CC(=O)N(C)C)c2OC)CC1.CCCCOc1cccc(CCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1.CCOc1cccc(COCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1
InChIInChI=1S/C25H39NO2S.C25H40O4S.C25H42O3S.C24H39NO4S.C24H35NO2S.C23H38O4S.C22H35NO3S/c1-4-25(2,3)29(27,28)20-23-12-10-21(11-13-23)8-9-22-14-16-24(17-15-22)26-18-6-5-7-19-26;1-5-25(2,3)30(27,28)19-22-15-13-20(14-16-22)9-6-7-10-21-11-8-12-23(17-21)18-24(26)29-4;1-5-7-18-28-24-13-9-12-22(19-24)11-8-10-21-14-16-23(17-15-21)20-29(26,27)25(3,4)6-2;1-6-18(2)30(27,28)17-20-12-10-19(11-13-20)14-15-21-8-7-9-22(24(21)29-5)16-23(26)25(3)4;1-5-24(3,4)28(26,27)17-21-11-8-19(9-12-21)7-10-20-13-15-23-22(16-20)14-6-18(2)25-23;1-5-23(3,4)28(24,25)18-20-12-10-19(11-13-20)14-15-26-17-21-8-7-9-22(16-21)27-6-2;1-5-22(3,4)27(25,26)16-20-13-10-18(11-14-20)9-12-19-7-6-8-21(15-19)17(2)23-24/h5-6,14-17,21,23H,4,7-13,18-20H2,1-3H3;8,11-12,17,20,22H,5-7,9-10,13-16,18-19H2,1-4H3;9,12-13,19,21,23H,5-8,10-11,14-18,20H2,1-4H3;7-9,18-20H,6,10-17H2,1-5H3;6,13-16,19,21H,5,7-12,17H2,1-4H3;7-9,16,19-20H,5-6,10-15,17-18H2,1-4H3;6-8,15,18,20,24H,5,9-14,16H2,1-4H3/b;;;;;;23-17+
InChIKeyNGDXOLMXZQLQIY-XIADXKPZSA-N
MW2920.47 g/mol
LogP38.71
Rot. Bonds67

About 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline

2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline (PubChem CID 172928634) has the molecular formula C168H268N4O22S7 and a molecular weight of 2920.47 g/mol. Its IUPAC name is 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline.

Molecular Properties

Compound Name2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
PubChem CID172928634
Molecular FormulaC168H268N4O22S7
Molecular Weight2920.47 g/mol
Exact Mass2917.80
IUPAC Name2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
SMILESCCC(C)(C)S(=O)(=O)CC1CCC(CCCCc2cccc(CC(=O)OC)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CC=CCC3)cc2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3nc(C)ccc3c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(/C(C)=N/O)c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(CC(=O)N(C)C)c2OC)CC1.CCCCOc1cccc(CCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1.CCOc1cccc(COCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1
InChIInChI=1S/C25H39NO2S.C25H40O4S.C25H42O3S.C24H39NO4S.C24H35NO2S.C23H38O4S.C22H35NO3S/c1-4-25(2,3)29(27,28)20-23-12-10-21(11-13-23)8-9-22-14-16-24(17-15-22)26-18-6-5-7-19-26;1-5-25(2,3)30(27,28)19-22-15-13-20(14-16-22)9-6-7-10-21-11-8-12-23(17-21)18-24(26)29-4;1-5-7-18-28-24-13-9-12-22(19-24)11-8-10-21-14-16-23(17-15-21)20-29(26,27)25(3,4)6-2;1-6-18(2)30(27,28)17-20-12-10-19(11-13-20)14-15-21-8-7-9-22(24(21)29-5)16-23(26)25(3)4;1-5-24(3,4)28(26,27)17-21-11-8-19(9-12-21)7-10-20-13-15-23-22(16-20)14-6-18(2)25-23;1-5-23(3,4)28(24,25)18-20-12-10-19(11-13-20)14-15-26-17-21-8-7-9-22(16-21)27-6-2;1-5-22(3,4)27(25,26)16-20-13-10-18(11-14-20)9-12-19-7-6-8-21(15-19)17(2)23-24/h5-6,14-17,21,23H,4,7-13,18-20H2,1-3H3;8,11-12,17,20,22H,5-7,9-10,13-16,18-19H2,1-4H3;9,12-13,19,21,23H,5-8,10-11,14-18,20H2,1-4H3;7-9,18-20H,6,10-17H2,1-5H3;6,13-16,19,21H,5,7-12,17H2,1-4H3;7-9,16,19-20H,5-6,10-15,17-18H2,1-4H3;6-8,15,18,20,24H,5,9-14,16H2,1-4H3/b;;;;;;23-17+
InChIKeyNGDXOLMXZQLQIY-XIADXKPZSA-N
XLogP38.71
TPSA371.23 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds67
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002920.47
LogP ≤ 538.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

butane-2-thiol;1-butoxy-3-[3-(4-methylcyclohexyl)propyl]benzene;(3-ethoxyphenyl)methanol;1-ethyl-4-methylcyclohexane;2-[2-methoxy-3-[2-(4-methylcyclohexyl)ethyl]phenyl]-N,N-dimethylacetamide;hexakis(2-methylbutane-2-thiol);1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-(4-methylcyclohexyl)ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-(4-methylcyclohexyl)butyl]phenyl]acetate;2-methyl-6-[2-(4-methylcyclohexyl)ethyl]quinoline;tetradecahydrate
CID 172944736
5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-butoxypyridine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-phenoxybenzene;1-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperidine;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-propoxybenzene;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline
CID 162026489
(Z)-3-amino-2-aminosulfanylbut-2-enamide;1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-ethyl-4-methylcyclohexane;5-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydroinden-1-one;1-[2-(4-methylcyclohexyl)ethyl]-4-methylsulfinylbenzene;5-[2-(4-methylcyclohexyl)ethyl]quinoline;2-methyl-4-[2-(4-methylcyclohexyl)ethyl]quinoline;pentakis(2-methylpropane-2-sulfinate);bis(2-methylpropane-2-sulfinic acid)
CID 158766299
1-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]-2-[3-(3-methylbutyl)phenyl]ethanone
CID 58145055
5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 158810014
methyl 2-[3-[2-[3-[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]piperidin-1-yl]propyl-methylamino]ethoxy]phenyl]acetate
CID 59830216
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
3-(3-cyclohexylpropyl)benzoic acid;1-(3-cyclohexylpropyl)-3-propoxybenzene
CID 91254679
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide
CID 59545980
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 59545342
2-chloro-1-ethoxy-3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene
CID 157100977

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The IUPAC name of 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline (CID 172928634) is 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline.
What is the SMILES notation for 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The canonical SMILES for 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline is CCC(C)(C)S(=O)(=O)CC1CCC(CCCCc2cccc(CC(=O)OC)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CC=CCC3)cc2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3nc(C)ccc3c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(/C(C)=N/O)c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(CC(=O)N(C)C)c2OC)CC1.CCCCOc1cccc(CCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1.CCOc1cccc(COCCC2CCC(CS(=O)(=O)C(C)(C)CC)CC2)c1.
What is the InChIKey of 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
The InChIKey is NGDXOLMXZQLQIY-XIADXKPZSA-N. The full InChI is InChI=1S/C25H39NO2S.C25H40O4S.C25H42O3S.C24H39NO4S.C24H35NO2S.C23H38O4S.C22H35NO3S/c1-4-25(2,3)29(27,28)20-23-12-10-21(11-13-23)8-9-22-14-16-24(17-15-22)26-18-6-5-7-19-26;1-5-25(2,3)30(27,28)19-22-15-13-20(14-16-22)9-6-7-10-21-11-8-12-23(17-21)18-24(26)29-4;1-5-7-18-28-24-13-9-12-22(19-24)11-8-10-21-14-16-23(17-15-21)20-29(26,27)25(3,4)6-2;1-6-18(2)30(27,28)17-20-12-10-19(11-13-20)14-15-21-8-7-9-22(24(21)29-5)16-23(26)25(3)4;1-5-24(3,4)28(26,27)17-21-11-8-19(9-12-21)7-10-20-13-15-23-22(16-20)14-6-18(2)25-23;1-5-23(3,4)28(24,25)18-20-12-10-19(11-13-20)14-15-26-17-21-8-7-9-22(16-21)27-6-2;1-5-22(3,4)27(25,26)16-20-13-10-18(11-14-20)9-12-19-7-6-8-21(15-19)17(2)23-24/h5-6,14-17,21,23H,4,7-13,18-20H2,1-3H3;8,11-12,17,20,22H,5-7,9-10,13-16,18-19H2,1-4H3;9,12-13,19,21,23H,5-8,10-11,14-18,20H2,1-4H3;7-9,18-20H,6,10-17H2,1-5H3;6,13-16,19,21H,5,7-12,17H2,1-4H3;7-9,16,19-20H,5-6,10-15,17-18H2,1-4H3;6-8,15,18,20,24H,5,9-14,16H2,1-4H3/b;;;;;;23-17+.
What are the key properties of 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline?
2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline has a molecular weight of 2920.47 g/mol, XLogP of 38.71, 67 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-methoxyphenyl]-N,N-dimethylacetamide;1-butoxy-3-[3-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]propyl]benzene;1-ethoxy-3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethoxymethyl]benzene;1-[4-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-3,6-dihydro-2H-pyridine;(NE)-N-[1-[3-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]ethylidene]hydroxylamine;methyl 2-[3-[4-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]butyl]phenyl]acetate;2-methyl-6-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]quinoline is sourced from PubChem (CID 172928634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).