N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole

C147H235N11O17S8Si2 — CID 159427236

IUPACN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2C(N)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(Nc2ccccc2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C32H63NO4SSi2.C22H31NO2S.C21H34N2O3S.C19H28N2O2S.C18H26N2O2S2.C18H27NO2S.C17H26N2O2S/c1-28(2)38(34,35)27-17-15-13-14-16-18-29-19-21-30(22-20-29)33(23-25-36-39(9,10)31(3,4)5)24-26-37-40(11,12)32(6,7)8;1-19(2)26(24,25)18-10-5-3-4-7-11-20-14-16-22(17-15-20)23-21-12-8-6-9-13-21;1-17(2)27(25,26)16-7-5-3-4-6-9-18-11-13-19(14-12-18)23-15-8-10-20(23)21(22)24;1-17(2)24(22,23)16-7-5-3-4-6-9-18-10-12-19(13-11-18)21-15-8-14-20-21;1-15(2)24(21,22)13-7-5-3-4-6-8-16-9-11-17(12-10-16)18-14-23-20-19-18;1-15(2)22(20,21)13-7-5-3-4-6-8-16-9-10-18-17(14-16)11-12-19-18;1-14(2)22(20,21)11-7-5-3-4-6-8-15-9-10-17-16(12-15)13-18-19-17/h19-22,28H,13-18,23-27H2,1-12H3;6,8-9,12-17,19,23H,3-5,7,10-11,18H2,1-2H3;11-14,17,20H,3-10,15-16H2,1-2H3,(H2,22,24);8,10-15,17H,3-7,9,16H2,1-2H3;9-12,14-15H,3-8,13H2,1-2H3;9-12,14-15,19H,3-8,13H2,1-2H3;9-10,12-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyLQNCZWLCULZVMT-UHFFFAOYSA-N
MW2741.26 g/mol
LogP35.13
Rot. Bonds78

About N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole (PubChem CID 159427236) has the molecular formula C147H235N11O17S8Si2 and a molecular weight of 2741.26 g/mol. Its IUPAC name is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole.

Molecular Properties

Compound NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole
PubChem CID159427236
Molecular FormulaC147H235N11O17S8Si2
Molecular Weight2741.26 g/mol
Exact Mass2738.52
IUPAC NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2C(N)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(Nc2ccccc2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C32H63NO4SSi2.C22H31NO2S.C21H34N2O3S.C19H28N2O2S.C18H26N2O2S2.C18H27NO2S.C17H26N2O2S/c1-28(2)38(34,35)27-17-15-13-14-16-18-29-19-21-30(22-20-29)33(23-25-36-39(9,10)31(3,4)5)24-26-37-40(11,12)32(6,7)8;1-19(2)26(24,25)18-10-5-3-4-7-11-20-14-16-22(17-15-20)23-21-12-8-6-9-13-21;1-17(2)27(25,26)16-7-5-3-4-6-9-18-11-13-19(14-12-18)23-15-8-10-20(23)21(22)24;1-17(2)24(22,23)16-7-5-3-4-6-9-18-10-12-19(13-11-18)21-15-8-14-20-21;1-15(2)24(21,22)13-7-5-3-4-6-8-16-9-11-17(12-10-16)18-14-23-20-19-18;1-15(2)22(20,21)13-7-5-3-4-6-8-16-9-10-18-17(14-16)11-12-19-18;1-14(2)22(20,21)11-7-5-3-4-6-8-15-9-10-17-16(12-15)13-18-19-17/h19-22,28H,13-18,23-27H2,1-12H3;6,8-9,12-17,19,23H,3-5,7,10-11,18H2,1-2H3;11-14,17,20H,3-10,15-16H2,1-2H3,(H2,22,24);8,10-15,17H,3-7,9,16H2,1-2H3;9-12,14-15H,3-8,13H2,1-2H3;9-12,14-15,19H,3-8,13H2,1-2H3;9-10,12-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyLQNCZWLCULZVMT-UHFFFAOYSA-N
XLogP35.13
TPSA407.11 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds78
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.26
LogP ≤ 535.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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': 'heavy_metal', 'substructure': 'N/A'}

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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-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
CID 157194413
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]aniline;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1H-indazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1H-indole;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-phenylaniline;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiadiazole
CID 157271440
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-[5-(4-anilinoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(Z)-1-hydrazinyl-2-sulfanylethenyl]anilino]pentyl]propane-2-sulfonamide;N-[5-(1H-indazol-5-ylamino)pentyl]propane-2-sulfonamide;N-[5-(1H-indol-5-ylamino)pentyl]propane-2-sulfonamide;N-[5-[(4-methyl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidine-2-carboxamide;N-[5-[4-(tetrazol-2-yl)anilino]pentyl]propane-2-sulfonamide
CID 157622344
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;(Z)-2-hydrazinyl-2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]ethenethiol;2-methanimidoyl-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide
CID 157791834
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
CID 157930448
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;chloromethane;N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
CID 157930449
(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
(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)
CID 158602098
N-(4-anilinophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]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-(1H-indazol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)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;4-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide
CID 158692607
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole?
The IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole (CID 159427236) is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole.
What is the SMILES notation for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole?
The canonical SMILES for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole is CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2C(N)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(Nc2ccccc2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ncc2c1.
What is the InChIKey of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole?
The InChIKey is LQNCZWLCULZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO4SSi2.C22H31NO2S.C21H34N2O3S.C19H28N2O2S.C18H26N2O2S2.C18H27NO2S.C17H26N2O2S/c1-28(2)38(34,35)27-17-15-13-14-16-18-29-19-21-30(22-20-29)33(23-25-36-39(9,10)31(3,4)5)24-26-37-40(11,12)32(6,7)8;1-19(2)26(24,25)18-10-5-3-4-7-11-20-14-16-22(17-15-20)23-21-12-8-6-9-13-21;1-17(2)27(25,26)16-7-5-3-4-6-9-18-11-13-19(14-12-18)23-15-8-10-20(23)21(22)24;1-17(2)24(22,23)16-7-5-3-4-6-9-18-10-12-19(13-11-18)21-15-8-14-20-21;1-15(2)24(21,22)13-7-5-3-4-6-8-16-9-11-17(12-10-16)18-14-23-20-19-18;1-15(2)22(20,21)13-7-5-3-4-6-8-16-9-10-18-17(14-16)11-12-19-18;1-14(2)22(20,21)11-7-5-3-4-6-8-15-9-10-17-16(12-15)13-18-19-17/h19-22,28H,13-18,23-27H2,1-12H3;6,8-9,12-17,19,23H,3-5,7,10-11,18H2,1-2H3;11-14,17,20H,3-10,15-16H2,1-2H3,(H2,22,24);8,10-15,17H,3-7,9,16H2,1-2H3;9-12,14-15H,3-8,13H2,1-2H3;9-12,14-15,19H,3-8,13H2,1-2H3;9-10,12-14H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole?
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole has a molecular weight of 2741.26 g/mol, XLogP of 35.13, 78 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(7-propan-2-ylsulfonylheptyl)aniline;N-phenyl-4-(7-propan-2-ylsulfonylheptyl)aniline;5-(7-propan-2-ylsulfonylheptyl)-1H-indazole;5-(7-propan-2-ylsulfonylheptyl)-1H-indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]thiadiazole is sourced from PubChem (CID 159427236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).