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

C129H134F5N13O23S5 — CID 157062588

IUPACN-[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
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3c(c2)C(C)(C)OC3=O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CC#N)c2)ccn1
InChIInChI=1S/C27H27FN2O6S.C27H31FN2O5S.C26H30FN3O4S.C25H24FN3O4S.C24H22FN3O4S/c1-15(2)20-11-17(28)12-21(16-8-9-29-25(10-16)35-5)22(20)14-24(31)30-37(33,34)18-6-7-19-23(13-18)27(3,4)36-26(19)32;1-16(2)21-13-20(28)14-22(18-9-10-29-26(12-18)35-6)23(21)15-25(31)30-36(33,34)24-8-7-19(11-17(24)3)27(4,5)32;1-17(2)22-13-20(27)14-23(19-10-11-28-26(12-19)34-5)24(22)15-25(31)29-35(32,33)21-8-6-18(7-9-21)16-30(3)4;1-16(2)21-13-19(26)14-22(18-8-10-28-25(12-18)33-3)23(21)15-24(30)29-34(31,32)20-6-4-5-17(11-20)7-9-27;1-15(2)20-11-18(25)12-21(17-7-8-27-24(10-17)32-3)22(20)13-23(29)28-33(30,31)19-6-4-5-16(9-19)14-26/h6-13,15H,14H2,1-5H3,(H,30,31);7-14,16,32H,15H2,1-6H3,(H,30,31);6-14,17H,15-16H2,1-5H3,(H,29,31);4-6,8,10-14,16H,7,15H2,1-3H3,(H,29,30);4-12,15H,13H2,1-3H3,(H,28,29)
InChIKeyABMPQZXAQRQPBQ-UHFFFAOYSA-N
MW2489.88 g/mol
LogP21.28
Rot. Bonds39

About 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

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 (PubChem CID 157062588) has the molecular formula C129H134F5N13O23S5 and a molecular weight of 2489.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157062588
Molecular FormulaC129H134F5N13O23S5
Molecular Weight2489.88 g/mol
Exact Mass2487.82
IUPAC NameN-[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
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3c(c2)C(C)(C)OC3=O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CC#N)c2)ccn1
InChIInChI=1S/C27H27FN2O6S.C27H31FN2O5S.C26H30FN3O4S.C25H24FN3O4S.C24H22FN3O4S/c1-15(2)20-11-17(28)12-21(16-8-9-29-25(10-16)35-5)22(20)14-24(31)30-37(33,34)18-6-7-19-23(13-18)27(3,4)36-26(19)32;1-16(2)21-13-20(28)14-22(18-9-10-29-26(12-18)35-6)23(21)15-25(31)30-36(33,34)24-8-7-19(11-17(24)3)27(4,5)32;1-17(2)22-13-20(27)14-23(19-10-11-28-26(12-19)34-5)24(22)15-25(31)29-35(32,33)21-8-6-18(7-9-21)16-30(3)4;1-16(2)21-13-19(26)14-22(18-8-10-28-25(12-18)33-3)23(21)15-24(30)29-34(31,32)20-6-4-5-17(11-20)7-9-27;1-15(2)20-11-18(25)12-21(17-7-8-27-24(10-17)32-3)22(20)13-23(29)28-33(30,31)19-6-4-5-16(9-19)14-26/h6-13,15H,14H2,1-5H3,(H,30,31);7-14,16,32H,15H2,1-6H3,(H,30,31);6-14,17H,15-16H2,1-5H3,(H,29,31);4-6,8,10-14,16H,7,15H2,1-3H3,(H,29,30);4-12,15H,13H2,1-3H3,(H,28,29)
InChIKeyABMPQZXAQRQPBQ-UHFFFAOYSA-N
XLogP21.28
TPSA524.15 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002489.88
LogP ≤ 521.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[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
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
3,3-dimethyl-1-oxo-2-benzofuran-5-sulfonamide;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]acetyl chloride
CID 159324651
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-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-isocyano-2-methylphenyl)sulfonylacetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-phenylethylsulfonyl)acetamide;methyl 4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-3-methylbenzoate
CID 159458166
3-(2-cyanopropan-2-yl)benzenesulfonamide;N-[3-(2-cyanopropan-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]acetic acid
CID 159571662
4-fluoro-3-(2-hydroxypropan-2-yl)benzenesulfonamide;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]acetic acid
CID 160390383
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
2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]acetic acid;2-[4-fluoro-2-(2-fluoropropan-2-yl)-6-(2-methoxy-4-pyridinyl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 160660732
2-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide;4-(2-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 160764969
3-fluoro-4-(2-hydroxypropan-2-yl)benzenesulfonamide;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-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 160977054

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)cc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3c(c2)C(C)(C)OC3=O)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CC#N)c2)ccn1.
What is the InChIKey of 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?
The InChIKey is ABMPQZXAQRQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O6S.C27H31FN2O5S.C26H30FN3O4S.C25H24FN3O4S.C24H22FN3O4S/c1-15(2)20-11-17(28)12-21(16-8-9-29-25(10-16)35-5)22(20)14-24(31)30-37(33,34)18-6-7-19-23(13-18)27(3,4)36-26(19)32;1-16(2)21-13-20(28)14-22(18-9-10-29-26(12-18)35-6)23(21)15-25(31)30-36(33,34)24-8-7-19(11-17(24)3)27(4,5)32;1-17(2)22-13-20(27)14-23(19-10-11-28-26(12-19)34-5)24(22)15-25(31)29-35(32,33)21-8-6-18(7-9-21)16-30(3)4;1-16(2)21-13-19(26)14-22(18-8-10-28-25(12-18)33-3)23(21)15-24(30)29-34(31,32)20-6-4-5-17(11-20)7-9-27;1-15(2)20-11-18(25)12-21(17-7-8-27-24(10-17)32-3)22(20)13-23(29)28-33(30,31)19-6-4-5-16(9-19)14-26/h6-13,15H,14H2,1-5H3,(H,30,31);7-14,16,32H,15H2,1-6H3,(H,30,31);6-14,17H,15-16H2,1-5H3,(H,29,31);4-6,8,10-14,16H,7,15H2,1-3H3,(H,29,30);4-12,15H,13H2,1-3H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 2489.88 g/mol, XLogP of 21.28, 39 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157062588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).