1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide

C141H159F7N12O21S5 — CID 167538914

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCC(=O)N1CCCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1.COCCN1CCC(C(C)S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1.COCCOc1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)c3ccccc3)c2)c1.Cc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCNC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCN(C(=O)C(C)(C)C)C2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)NC2=NCc3ncccc32)c1F
InChIInChI=1S/C26H33FN2O4S.C25H33FN2O4S.C24H29FN2O4S.C24H24FNO5S.C21H24F2N2O3S.C21H16FN3O/c1-18-13-21(20-10-6-5-7-11-20)14-22(24(18)27)23(30)15-28-34(32,33)17-19-9-8-12-29(16-19)25(31)26(2,3)4;1-18-15-22(21-7-5-4-6-8-21)16-23(25(18)26)24(29)17-27-33(30,31)19(2)20-9-11-28(12-10-20)13-14-32-3;1-3-23(29)27-11-7-8-18(15-27)16-32(30,31)26-14-22(28)21-13-20(12-17(2)24(21)25)19-9-5-4-6-10-19;1-17-13-19(18-7-6-8-20(14-18)31-12-11-30-2)15-22(24(17)25)23(27)16-26-32(28,29)21-9-4-3-5-10-21;1-14-8-17(16-5-2-6-18(22)9-16)10-19(21(14)23)20(26)12-25-29(27,28)13-15-4-3-7-24-11-15;1-13-10-15(14-6-3-2-4-7-14)11-17(19(13)22)21(26)25-20-16-8-5-9-23-18(16)12-24-20/h5-7,10-11,13-14,19,28H,8-9,12,15-17H2,1-4H3;4-8,15-16,19-20,27H,9-14,17H2,1-3H3;4-6,9-10,12-13,18,26H,3,7-8,11,14-16H2,1-2H3;3-10,13-15,26H,11-12,16H2,1-2H3;2,5-6,8-10,15,24-25H,3-4,7,11-13H2,1H3;2-11H,12H2,1H3,(H,24,25,26)
InChIKeyAXIRCYULOHFOKM-UHFFFAOYSA-N
MW2651.21 g/mol
LogP22.31
Rot. Bonds44

About 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide

1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 167538914) has the molecular formula C141H159F7N12O21S5 and a molecular weight of 2651.21 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID167538914
Molecular FormulaC141H159F7N12O21S5
Molecular Weight2651.21 g/mol
Exact Mass2649.02
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCC(=O)N1CCCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1.COCCN1CCC(C(C)S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1.COCCOc1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)c3ccccc3)c2)c1.Cc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCNC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCN(C(=O)C(C)(C)C)C2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)NC2=NCc3ncccc32)c1F
InChIInChI=1S/C26H33FN2O4S.C25H33FN2O4S.C24H29FN2O4S.C24H24FNO5S.C21H24F2N2O3S.C21H16FN3O/c1-18-13-21(20-10-6-5-7-11-20)14-22(24(18)27)23(30)15-28-34(32,33)17-19-9-8-12-29(16-19)25(31)26(2,3)4;1-18-15-22(21-7-5-4-6-8-21)16-23(25(18)26)24(29)17-27-33(30,31)19(2)20-9-11-28(12-10-20)13-14-32-3;1-3-23(29)27-11-7-8-18(15-27)16-32(30,31)26-14-22(28)21-13-20(12-17(2)24(21)25)19-9-5-4-6-10-19;1-17-13-19(18-7-6-8-20(14-18)31-12-11-30-2)15-22(24(17)25)23(27)16-26-32(28,29)21-9-4-3-5-10-21;1-14-8-17(16-5-2-6-18(22)9-16)10-19(21(14)23)20(26)12-25-29(27,28)13-15-4-3-7-24-11-15;1-13-10-15(14-6-3-2-4-7-14)11-17(19(13)22)21(26)25-20-16-8-5-9-23-18(16)12-24-20/h5-7,10-11,13-14,19,28H,8-9,12,15-17H2,1-4H3;4-8,15-16,19-20,27H,9-14,17H2,1-3H3;4-6,9-10,12-13,18,26H,3,7-8,11,14-16H2,1-2H3;3-10,13-15,26H,11-12,16H2,1-2H3;2,5-6,8-10,15,24-25H,3-4,7,11-13H2,1H3;2-11H,12H2,1H3,(H,24,25,26)
InChIKeyAXIRCYULOHFOKM-UHFFFAOYSA-N
XLogP22.31
TPSA454.13 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.21
LogP ≤ 522.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide with MolForge

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Related Compounds

CID 157901461
CID 157901461
bis(5-(diethylamino)-1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]pentan-1-one);4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide;1-[3-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]-5-methylhexan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]methyl]benzamide;N-(3-morpholin-4-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzamide;N-(3-piperidin-1-ylpropyl)-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]benzenesulfonamide
CID 159305046
N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(4-ethanimidoylpiperazin-1-yl)sulfonylbenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-[(1-ethanimidoylpiperidin-4-ylidene)methyl]benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(piperidin-4-ylidenemethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(piperidin-4-ylmethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(pyridin-4-ylmethyl)benzamide;fluoroform;formic acid;pentakis(2,2,2-trifluoroacetic acid)
CID 159574995
[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 157169521
[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 157615798
[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 158894963
[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclopentylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methoxyphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 159632443
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-methyl-2-pyridin-2-ylpropan-1-one;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-phenylethanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone)
CID 159667615
[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclopentylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methoxyphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 161184869
[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclopentylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-fluorophenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methoxyphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-methylphenyl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 161234580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide (CID 167538914) is 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide is CCC(=O)N1CCCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1.COCCN1CCC(C(C)S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1.COCCOc1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)c3ccccc3)c2)c1.Cc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCNC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCN(C(=O)C(C)(C)C)C2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)NC2=NCc3ncccc32)c1F.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is AXIRCYULOHFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O4S.C25H33FN2O4S.C24H29FN2O4S.C24H24FNO5S.C21H24F2N2O3S.C21H16FN3O/c1-18-13-21(20-10-6-5-7-11-20)14-22(24(18)27)23(30)15-28-34(32,33)17-19-9-8-12-29(16-19)25(31)26(2,3)4;1-18-15-22(21-7-5-4-6-8-21)16-23(25(18)26)24(29)17-27-33(30,31)19(2)20-9-11-28(12-10-20)13-14-32-3;1-3-23(29)27-11-7-8-18(15-27)16-32(30,31)26-14-22(28)21-13-20(12-17(2)24(21)25)19-9-5-4-6-10-19;1-17-13-19(18-7-6-8-20(14-18)31-12-11-30-2)15-22(24(17)25)23(27)16-26-32(28,29)21-9-4-3-5-10-21;1-14-8-17(16-5-2-6-18(22)9-16)10-19(21(14)23)20(26)12-25-29(27,28)13-15-4-3-7-24-11-15;1-13-10-15(14-6-3-2-4-7-14)11-17(19(13)22)21(26)25-20-16-8-5-9-23-18(16)12-24-20/h5-7,10-11,13-14,19,28H,8-9,12,15-17H2,1-4H3;4-8,15-16,19-20,27H,9-14,17H2,1-3H3;4-6,9-10,12-13,18,26H,3,7-8,11,14-16H2,1-2H3;3-10,13-15,26H,11-12,16H2,1-2H3;2,5-6,8-10,15,24-25H,3-4,7,11-13H2,1H3;2-11H,12H2,1H3,(H,24,25,26).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide?
1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 2651.21 g/mol, XLogP of 22.31, 44 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]-1-piperidin-3-ylmethanesulfonamide;N-[2-[2-fluoro-5-[3-(2-methoxyethoxy)phenyl]-3-methylphenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]ethanesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(1-propanoylpiperidin-3-yl)methanesulfonamide;2-fluoro-3-methyl-5-phenyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 167538914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).