2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine

C140H210F2N6O22S9 — CID 160949115

IUPAC2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine
SMILESCC(C)S(=O)(=O)CCCCCCCCCCN1CCOCC1.CC(C)S(=O)(=O)CCCCCCCc1c2ccccc2nc2ccccc12.CC(C)S(=O)(=O)CCCCCCCc1cc(-c2ccco2)n[nH]1.CC(C)S(=O)(=O)CCCCCCCc1cccnc1Cc1ccc(F)cc1F.CC(C)S(=O)(=O)CCCCCCCc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CCCCCCCS(=O)(=O)C(C)C)c1C(=O)OC.COc1ccc(CCCCCCCCCS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C23H29NO2S2.C23H29NO2S.C22H29F2NO2S.C20H34O4S.C18H28O6S2.C17H26N2O3S.C17H35NO3S/c1-18(2)28(25,26)16-9-5-3-4-6-15-23-24-22(17-27-23)21-14-10-12-19-11-7-8-13-20(19)21;1-18(2)27(25,26)17-11-5-3-4-6-12-19-20-13-7-9-15-22(20)24-23-16-10-8-14-21(19)23;1-17(2)28(26,27)14-7-5-3-4-6-9-18-10-8-13-25-22(18)15-19-11-12-20(23)16-21(19)24;1-17(2)25(21,22)15-11-9-7-5-6-8-10-12-18-13-14-19(23-3)20(16-18)24-4;1-13(2)26(21,22)11-9-7-5-6-8-10-14-12-25-16(18(20)24-4)15(14)17(19)23-3;1-14(2)23(20,21)12-7-5-3-4-6-9-15-13-16(19-18-15)17-10-8-11-22-17;1-17(2)22(19,20)16-10-8-6-4-3-5-7-9-11-18-12-14-21-15-13-18/h7-8,10-14,17-18H,3-6,9,15-16H2,1-2H3;7-10,13-16,18H,3-6,11-12,17H2,1-2H3;8,10-13,16-17H,3-7,9,14-15H2,1-2H3;13-14,16-17H,5-12,15H2,1-4H3;12-13H,5-11H2,1-4H3;8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,18,19);17H,3-16H2,1-2H3
InChIKeySVNCYOGNSVNNKH-UHFFFAOYSA-N
MW2655.84 g/mol
LogP32.94
Rot. Bonds76

About 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine

2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine (PubChem CID 160949115) has the molecular formula C140H210F2N6O22S9 and a molecular weight of 2655.84 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine
PubChem CID160949115
Molecular FormulaC140H210F2N6O22S9
Molecular Weight2655.84 g/mol
Exact Mass2653.30
IUPAC Name2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine
SMILESCC(C)S(=O)(=O)CCCCCCCCCCN1CCOCC1.CC(C)S(=O)(=O)CCCCCCCc1c2ccccc2nc2ccccc12.CC(C)S(=O)(=O)CCCCCCCc1cc(-c2ccco2)n[nH]1.CC(C)S(=O)(=O)CCCCCCCc1cccnc1Cc1ccc(F)cc1F.CC(C)S(=O)(=O)CCCCCCCc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CCCCCCCS(=O)(=O)C(C)C)c1C(=O)OC.COc1ccc(CCCCCCCCCS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C23H29NO2S2.C23H29NO2S.C22H29F2NO2S.C20H34O4S.C18H28O6S2.C17H26N2O3S.C17H35NO3S/c1-18(2)28(25,26)16-9-5-3-4-6-15-23-24-22(17-27-23)21-14-10-12-19-11-7-8-13-20(19)21;1-18(2)27(25,26)17-11-5-3-4-6-12-19-20-13-7-9-15-22(20)24-23-16-10-8-14-21(19)23;1-17(2)28(26,27)14-7-5-3-4-6-9-18-10-8-13-25-22(18)15-19-11-12-20(23)16-21(19)24;1-17(2)25(21,22)15-11-9-7-5-6-8-10-12-18-13-14-19(23-3)20(16-18)24-4;1-13(2)26(21,22)11-9-7-5-6-8-10-14-12-25-16(18(20)24-4)15(14)17(19)23-3;1-14(2)23(20,21)12-7-5-3-4-6-9-15-13-16(19-18-15)17-10-8-11-22-17;1-17(2)22(19,20)16-10-8-6-4-3-5-7-9-11-18-12-14-21-15-13-18/h7-8,10-14,17-18H,3-6,9,15-16H2,1-2H3;7-10,13-16,18H,3-6,11-12,17H2,1-2H3;8,10-13,16-17H,3-7,9,14-15H2,1-2H3;13-14,16-17H,5-12,15H2,1-4H3;12-13H,5-11H2,1-4H3;8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,18,19);17H,3-16H2,1-2H3
InChIKeySVNCYOGNSVNNKH-UHFFFAOYSA-N
XLogP32.94
TPSA403.00 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds76
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.84
LogP ≤ 532.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine with MolForge

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Related Compounds

N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfanylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfanylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate;tetrahydrate
CID 157509288
4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;N-ethyl-N-nonylaniline;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;heptakis(propane-2-thiol);tetradecahydrate
CID 158284000
1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate
CID 158546963
2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate
CID 159068750
4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;hexakis(2-methylpropane-2-thiol);dodecahydrate
CID 159209786
2-(2,4-difluorophenoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]pyridine;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;dimethyl 4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 159214793
2-(2,4-difluorophenoxy)-3-[2-(4-methylcyclohexyl)ethyl]pyridine;dimethyl 4-[2-(4-methylcyclohexyl)ethyl]thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-[2-(4-methylcyclohexyl)ethyl]-1H-pyrazole;6-methoxy-3-[2-(4-methylcyclohexyl)ethyl]-2-phenylsulfanylpyridine;9-[2-(4-methylcyclohexyl)ethyl]acridine;2-[2-(4-methylcyclohexyl)ethyl]-4-naphthalen-1-yl-1,3-thiazole;hexakis(propane-2-thiol);dodecahydrate
CID 159225107
N'-acridin-9-ylpentane-1,5-diamine;N'-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentane-1,5-diamine;N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dimethyl 4-(5-aminopentylamino)thiophene-2,3-dicarboxylate;N'-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentane-1,5-diamine;hexakis(2-methylpropane-2-sulfinate);N'-(3-morpholin-4-ylpropyl)pentane-1,5-diamine
CID 159415426
2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 159444045
1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 159485887
2-(2,4-difluorophenoxy)-3-[2-(4-methylcyclohexyl)ethyl]pyridine;1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene;dimethyl 4-[2-(4-methylcyclohexyl)ethyl]thiophene-2,3-dicarboxylate;N-ethyl-N-[4-(4-methylcyclohexyl)butyl]aniline;3-(furan-2-yl)-5-[2-(4-methylcyclohexyl)ethyl]-1H-pyrazole;9-[2-(4-methylcyclohexyl)ethyl]acridine;4-[5-(4-methylcyclohexyl)pentyl]morpholine;heptakis(propane-2-thiol);tetradecahydrate
CID 160053662
N-acridin-9-yl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;dimethyl 4-[[4-(propan-2-ylsulfonylamino)cyclohexanecarbonyl]amino]thiophene-2,3-dicarboxylate;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3-morpholin-4-ylpropyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 160300952

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine (CID 160949115) is 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine is CC(C)S(=O)(=O)CCCCCCCCCCN1CCOCC1.CC(C)S(=O)(=O)CCCCCCCc1c2ccccc2nc2ccccc12.CC(C)S(=O)(=O)CCCCCCCc1cc(-c2ccco2)n[nH]1.CC(C)S(=O)(=O)CCCCCCCc1cccnc1Cc1ccc(F)cc1F.CC(C)S(=O)(=O)CCCCCCCc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CCCCCCCS(=O)(=O)C(C)C)c1C(=O)OC.COc1ccc(CCCCCCCCCS(=O)(=O)C(C)C)cc1OC.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine?
The InChIKey is SVNCYOGNSVNNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2S2.C23H29NO2S.C22H29F2NO2S.C20H34O4S.C18H28O6S2.C17H26N2O3S.C17H35NO3S/c1-18(2)28(25,26)16-9-5-3-4-6-15-23-24-22(17-27-23)21-14-10-12-19-11-7-8-13-20(19)21;1-18(2)27(25,26)17-11-5-3-4-6-12-19-20-13-7-9-15-22(20)24-23-16-10-8-14-21(19)23;1-17(2)28(26,27)14-7-5-3-4-6-9-18-10-8-13-25-22(18)15-19-11-12-20(23)16-21(19)24;1-17(2)25(21,22)15-11-9-7-5-6-8-10-12-18-13-14-19(23-3)20(16-18)24-4;1-13(2)26(21,22)11-9-7-5-6-8-10-14-12-25-16(18(20)24-4)15(14)17(19)23-3;1-14(2)23(20,21)12-7-5-3-4-6-9-15-13-16(19-18-15)17-10-8-11-22-17;1-17(2)22(19,20)16-10-8-6-4-3-5-7-9-11-18-12-14-21-15-13-18/h7-8,10-14,17-18H,3-6,9,15-16H2,1-2H3;7-10,13-16,18H,3-6,11-12,17H2,1-2H3;8,10-13,16-17H,3-7,9,14-15H2,1-2H3;13-14,16-17H,5-12,15H2,1-4H3;12-13H,5-11H2,1-4H3;8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,18,19);17H,3-16H2,1-2H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine?
2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine has a molecular weight of 2655.84 g/mol, XLogP of 32.94, 76 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-3-(7-propan-2-ylsulfonylheptyl)pyridine;1,2-dimethoxy-4-(9-propan-2-ylsulfonylnonyl)benzene;dimethyl 4-(7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-(7-propan-2-ylsulfonylheptyl)-1H-pyrazole;4-naphthalen-1-yl-2-(7-propan-2-ylsulfonylheptyl)-1,3-thiazole;4-(10-propan-2-ylsulfonyldecyl)morpholine;9-(7-propan-2-ylsulfonylheptyl)acridine is sourced from PubChem (CID 160949115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).