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

C129H151F6N11O24S5 — CID 157198791

IUPACN-[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
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)CCCC(C)(C)O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C[C@@]23CC[C@@H](C[C@H]2O)C3(C)C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C(C)(C)O)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)C#N)c2)ccn1
InChIInChI=1S/C27H28FN3O4S.C27H35FN2O5S.C26H28F2N2O5S.C26H29FN2O5S.C23H31FN2O5S/c1-17(2)22-13-20(28)14-23(18-9-10-30-26(11-18)35-5)24(22)15-25(32)31-36(33,34)21-8-6-7-19(12-21)27(3,4)16-29;1-16(2)20-12-19(28)13-21(17-7-9-29-25(10-17)35-5)22(20)14-24(32)30-36(33,34)15-27-8-6-18(11-23(27)31)26(27,3)4;1-15(2)19-11-17(27)12-20(16-8-9-29-25(10-16)35-5)21(19)14-24(31)30-36(33,34)18-6-7-23(28)22(13-18)26(3,4)32;1-16(2)21-13-19(27)14-22(17-10-11-28-25(12-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-18(7-9-20)26(3,4)31;1-15(2)18-12-17(24)13-19(16-7-9-25-22(11-16)31-5)20(18)14-21(27)26-32(29,30)10-6-8-23(3,4)28/h6-14,17H,15H2,1-5H3,(H,31,32);7,9-10,12-13,16,18,23,31H,6,8,11,14-15H2,1-5H3,(H,30,32);6-13,15,32H,14H2,1-5H3,(H,30,31);6-14,16,31H,15H2,1-5H3,(H,29,30);7,9,11-13,15,28H,6,8,10,14H2,1-5H3,(H,26,27)/t;18-,23+,27-;;;/m.0.../s1
InChIKeyAQOCBNXLCDEYMX-XAKBNOJYSA-N
MW2514.00 g/mol
LogP21.35
Rot. Bonds42

About 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

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 (PubChem CID 157198791) has the molecular formula C129H151F6N11O24S5 and a molecular weight of 2514.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157198791
Molecular FormulaC129H151F6N11O24S5
Molecular Weight2514.00 g/mol
Exact Mass2511.94
IUPAC NameN-[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
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)CCCC(C)(C)O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C[C@@]23CC[C@@H](C[C@H]2O)C3(C)C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C(C)(C)O)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)C#N)c2)ccn1
InChIInChI=1S/C27H28FN3O4S.C27H35FN2O5S.C26H28F2N2O5S.C26H29FN2O5S.C23H31FN2O5S/c1-17(2)22-13-20(28)14-23(18-9-10-30-26(11-18)35-5)24(22)15-25(32)31-36(33,34)21-8-6-7-19(12-21)27(3,4)16-29;1-16(2)20-12-19(28)13-21(17-7-9-29-25(10-17)35-5)22(20)14-24(32)30-36(33,34)15-27-8-6-18(11-23(27)31)26(27,3)4;1-15(2)19-11-17(27)12-20(16-8-9-29-25(10-16)35-5)21(19)14-24(31)30-36(33,34)18-6-7-23(28)22(13-18)26(3,4)32;1-16(2)21-13-19(27)14-22(17-10-11-28-25(12-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-18(7-9-20)26(3,4)31;1-15(2)18-12-17(24)13-19(16-7-9-25-22(11-16)31-5)20(18)14-21(27)26-32(29,30)10-6-8-23(3,4)28/h6-14,17H,15H2,1-5H3,(H,31,32);7,9-10,12-13,16,18,23,31H,6,8,11,14-15H2,1-5H3,(H,30,32);6-13,15,32H,14H2,1-5H3,(H,30,31);6-14,16,31H,15H2,1-5H3,(H,29,30);7,9,11-13,15,28H,6,8,10,14H2,1-5H3,(H,26,27)/t;18-,23+,27-;;;/m.0.../s1
InChIKeyAQOCBNXLCDEYMX-XAKBNOJYSA-N
XLogP21.35
TPSA531.51 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002514.00
LogP ≤ 521.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Launch Full Analysis

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-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 157687233
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-[[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]acetamide;[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 158687823
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
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
N-[4-(2-aminopropan-2-yl)-3-fluorophenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide;N-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 159181677
N-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-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-[(1-isocyanocyclohexyl)methylsulfonyl]acetamide
CID 159422789
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-(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;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(isocyanomethyl)phenyl]sulfonylacetamide
CID 160487844
N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-(1-benzofuran-7-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[(1-cyanocyclohexyl)methylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-(2,6-difluoro-4-methylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-(3-ethylphenyl)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-methylphenyl)sulfonylacetamide
CID 161954436

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)CCCC(C)(C)O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C[C@@]23CC[C@@H](C[C@H]2O)C3(C)C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C(C)(C)O)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)C#N)c2)ccn1.
What is the InChIKey of 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?
The InChIKey is AQOCBNXLCDEYMX-XAKBNOJYSA-N. The full InChI is InChI=1S/C27H28FN3O4S.C27H35FN2O5S.C26H28F2N2O5S.C26H29FN2O5S.C23H31FN2O5S/c1-17(2)22-13-20(28)14-23(18-9-10-30-26(11-18)35-5)24(22)15-25(32)31-36(33,34)21-8-6-7-19(12-21)27(3,4)16-29;1-16(2)20-12-19(28)13-21(17-7-9-29-25(10-17)35-5)22(20)14-24(32)30-36(33,34)15-27-8-6-18(11-23(27)31)26(27,3)4;1-15(2)19-11-17(27)12-20(16-8-9-29-25(10-16)35-5)21(19)14-24(31)30-36(33,34)18-6-7-23(28)22(13-18)26(3,4)32;1-16(2)21-13-19(27)14-22(17-10-11-28-25(12-17)34-5)23(21)15-24(30)29-35(32,33)20-8-6-18(7-9-20)26(3,4)31;1-15(2)18-12-17(24)13-19(16-7-9-25-22(11-16)31-5)20(18)14-21(27)26-32(29,30)10-6-8-23(3,4)28/h6-14,17H,15H2,1-5H3,(H,31,32);7,9-10,12-13,16,18,23,31H,6,8,11,14-15H2,1-5H3,(H,30,32);6-13,15,32H,14H2,1-5H3,(H,30,31);6-14,16,31H,15H2,1-5H3,(H,29,30);7,9,11-13,15,28H,6,8,10,14H2,1-5H3,(H,26,27)/t;18-,23+,27-;;;/m.0.../s1.
What are the key properties of 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?
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 has a molecular weight of 2514.00 g/mol, XLogP of 21.35, 42 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157198791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).