N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate

C138H154F9N13O26S5 — CID 158959954

IUPACN-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)ccc1F.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)N(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(=O)OC(C)(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(C)=O)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2)ccn1
InChIInChI=1S/C31H37F2N3O6S.C28H31F2N3O5S.C28H33F2N3O4S.C26H29FN2O5S.C25H24F2N2O6S/c1-18(2)22-14-20(32)15-23(19-11-12-34-28(13-19)41-8)24(22)17-27(37)36-43(39,40)21-9-10-25(26(33)16-21)31(6,7)35-29(38)42-30(3,4)5;1-16(2)21-12-19(29)13-22(18-9-10-31-27(11-18)38-6)23(21)15-26(35)33-39(36,37)20-7-8-24(25(30)14-20)28(4,5)32-17(3)34;1-17(2)21-13-19(29)14-22(18-10-11-31-27(12-18)37-7)23(21)16-26(34)32-38(35,36)20-8-9-24(25(30)15-20)28(3,4)33(5)6;1-16(2)21-13-19(27)14-22(17-9-10-28-25(11-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-7-18(12-20)26(3,4)31;1-14(2)18-10-16(26)11-19(15-7-8-28-24(9-15)34-3)20(18)13-23(30)29-36(32,33)17-5-6-22(27)21(12-17)25(31)35-4/h9-16,18H,17H2,1-8H3,(H,35,38)(H,36,37);7-14,16H,15H2,1-6H3,(H,32,34)(H,33,35);8-15,17H,16H2,1-7H3,(H,32,34);6-14,16,31H,15H2,1-5H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,29,30)
InChIKeyJMMLFTPNFDFHQI-UHFFFAOYSA-N
MW2742.13 g/mol
LogP23.83
Rot. Bonds43

About N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate

N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate (PubChem CID 158959954) has the molecular formula C138H154F9N13O26S5 and a molecular weight of 2742.13 g/mol. Its IUPAC name is N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate.

Molecular Properties

Compound NameN-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate
PubChem CID158959954
Molecular FormulaC138H154F9N13O26S5
Molecular Weight2742.13 g/mol
Exact Mass2739.96
IUPAC NameN-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)ccc1F.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)N(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(=O)OC(C)(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(C)=O)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2)ccn1
InChIInChI=1S/C31H37F2N3O6S.C28H31F2N3O5S.C28H33F2N3O4S.C26H29FN2O5S.C25H24F2N2O6S/c1-18(2)22-14-20(32)15-23(19-11-12-34-28(13-19)41-8)24(22)17-27(37)36-43(39,40)21-9-10-25(26(33)16-21)31(6,7)35-29(38)42-30(3,4)5;1-16(2)21-12-19(29)13-22(18-9-10-31-27(11-18)38-6)23(21)15-26(35)33-39(36,37)20-7-8-24(25(30)14-20)28(4,5)32-17(3)34;1-17(2)21-13-19(29)14-22(18-10-11-31-27(12-18)37-7)23(21)16-26(34)32-38(35,36)20-8-9-24(25(30)15-20)28(3,4)33(5)6;1-16(2)21-13-19(27)14-22(17-9-10-28-25(11-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-7-18(12-20)26(3,4)31;1-14(2)18-10-16(26)11-19(15-7-8-28-24(9-15)34-3)20(18)13-23(30)29-36(32,33)17-5-6-22(27)21(12-17)25(31)35-4/h9-16,18H,17H2,1-8H3,(H,35,38)(H,36,37);7-14,16H,15H2,1-6H3,(H,32,34)(H,33,35);8-15,17H,16H2,1-7H3,(H,32,34);6-14,16,31H,15H2,1-5H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,29,30)
InChIKeyJMMLFTPNFDFHQI-UHFFFAOYSA-N
XLogP23.83
TPSA544.00 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.13
LogP ≤ 523.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-[3-(cyanomethyl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-(3-cyanophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 157062588
N-[3-(2-cyanopropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-hydroxy-4-methylpentyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide
CID 157198791
2-[2-(benzamidomethyl)phenyl]-N-(3-methylbutyl)benzamide;2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[(benzylsulfonylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;(4-methoxyphenyl) N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 157494402
2-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate;methyl 2-fluoro-5-sulfamoylbenzoate
CID 157953134
2-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl chloride;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate;methyl 4-sulfamoylbenzoate
CID 157956379
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-methylphenyl)sulfonylacetamide;4-methylbenzenesulfonamide
CID 158168340
N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate
CID 158328955
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]-2-phenylacetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate
CID 158813608
N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-(5-cyano-2-methylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(hydroxymethyl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate
CID 158839238
tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;tert-butyl N-[2-(2-fluoro-4-sulfamoylphenyl)propan-2-yl]carbamate;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 158848722
benzenesulfonamide;N-(benzenesulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 159403926
2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;(4-methoxyphenyl) N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 159415816

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate?
The IUPAC name of N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate (CID 158959954) is N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate.
What is the SMILES notation for N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate?
The canonical SMILES for N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate is COC(=O)c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)ccc1F.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)N(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(=O)OC(C)(C)C)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)NC(C)=O)c(F)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2)ccn1.
What is the InChIKey of N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate?
The InChIKey is JMMLFTPNFDFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2N3O6S.C28H31F2N3O5S.C28H33F2N3O4S.C26H29FN2O5S.C25H24F2N2O6S/c1-18(2)22-14-20(32)15-23(19-11-12-34-28(13-19)41-8)24(22)17-27(37)36-43(39,40)21-9-10-25(26(33)16-21)31(6,7)35-29(38)42-30(3,4)5;1-16(2)21-12-19(29)13-22(18-9-10-31-27(11-18)38-6)23(21)15-26(35)33-39(36,37)20-7-8-24(25(30)14-20)28(4,5)32-17(3)34;1-17(2)21-13-19(29)14-22(18-10-11-31-27(12-18)37-7)23(21)16-26(34)32-38(35,36)20-8-9-24(25(30)15-20)28(3,4)33(5)6;1-16(2)21-13-19(27)14-22(17-9-10-28-25(11-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-7-18(12-20)26(3,4)31;1-14(2)18-10-16(26)11-19(15-7-8-28-24(9-15)34-3)20(18)13-23(30)29-36(32,33)17-5-6-22(27)21(12-17)25(31)35-4/h9-16,18H,17H2,1-8H3,(H,35,38)(H,36,37);7-14,16H,15H2,1-6H3,(H,32,34)(H,33,35);8-15,17H,16H2,1-7H3,(H,32,34);6-14,16,31H,15H2,1-5H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,29,30).
What are the key properties of N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate?
N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate has a molecular weight of 2742.13 g/mol, XLogP of 23.83, 43 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;tert-butyl N-[2-[2-fluoro-4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]propan-2-yl]carbamate;N-[4-[2-(dimethylamino)propan-2-yl]-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;methyl 2-fluoro-5-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]benzoate is sourced from PubChem (CID 158959954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).