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

C149H149F7N16O26S6 — CID 158839238

IUPACN-(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
SMILESCC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1.[C-]#[N+]c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1
InChIInChI=1S/C26H27FN2O6S.2C25H24FN3O4S.C25H28FN3O3S.C24H21F2N3O4S.C24H25FN2O5S/c1-15(2)20-12-19(27)13-21(17-8-9-28-25(11-17)34-4)22(20)14-24(30)29-36(32,33)23-7-6-18(10-16(23)3)26(31)35-5;1-15(2)20-12-18(26)13-21(17-8-9-28-25(11-17)33-5)22(20)14-24(30)29-34(31,32)23-7-6-19(27-4)10-16(23)3;1-15(2)20-11-19(26)12-21(18-7-8-28-25(10-18)33-4)22(20)13-24(30)29-34(31,32)23-9-17(14-27)6-5-16(23)3;1-17(2)22-13-20(26)14-23(19-9-11-27-12-10-19)24(22)15-25(30)28-33(31,32)21-7-5-18(6-8-21)16-29(3)4;1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27;1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h6-13,15H,14H2,1-5H3,(H,29,30);6-13,15H,14H2,1-3,5H3,(H,29,30);5-12,15H,13H2,1-4H3,(H,29,30);5-14,17H,15-16H2,1-4H3,(H,28,30);4-11,14H,12H2,1-3H3,(H,29,30);4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyIYAINQWAIINOIO-UHFFFAOYSA-N
MW2905.30 g/mol
LogP25.09
Rot. Bonds45

About 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

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 (PubChem CID 158839238) has the molecular formula C149H149F7N16O26S6 and a molecular weight of 2905.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158839238
Molecular FormulaC149H149F7N16O26S6
Molecular Weight2905.30 g/mol
Exact Mass2902.90
IUPAC NameN-(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
SMILESCC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1.[C-]#[N+]c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1
InChIInChI=1S/C26H27FN2O6S.2C25H24FN3O4S.C25H28FN3O3S.C24H21F2N3O4S.C24H25FN2O5S/c1-15(2)20-12-19(27)13-21(17-8-9-28-25(11-17)34-4)22(20)14-24(30)29-36(32,33)23-7-6-18(10-16(23)3)26(31)35-5;1-15(2)20-12-18(26)13-21(17-8-9-28-25(11-17)33-5)22(20)14-24(30)29-34(31,32)23-7-6-19(27-4)10-16(23)3;1-15(2)20-11-19(26)12-21(18-7-8-28-25(10-18)33-4)22(20)13-24(30)29-34(31,32)23-9-17(14-27)6-5-16(23)3;1-17(2)22-13-20(26)14-23(19-9-11-27-12-10-19)24(22)15-25(30)28-33(31,32)21-7-5-18(6-8-21)16-29(3)4;1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27;1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h6-13,15H,14H2,1-5H3,(H,29,30);6-13,15H,14H2,1-3,5H3,(H,29,30);5-12,15H,13H2,1-4H3,(H,29,30);5-14,17H,15-16H2,1-4H3,(H,28,30);4-11,14H,12H2,1-3H3,(H,29,30);4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyIYAINQWAIINOIO-UHFFFAOYSA-N
XLogP25.09
TPSA604.64 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.30
LogP ≤ 525.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-[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-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;N-(2,4-dichlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-(dimethylamino)-2-methylphenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;[4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]boronic acid;4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,3-trimethylbenzamide
CID 158738729
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-[(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(CO)c2)ccn1.[C-]#[N+]c1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c(C)c1.
What is the InChIKey of 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?
The InChIKey is IYAINQWAIINOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O6S.2C25H24FN3O4S.C25H28FN3O3S.C24H21F2N3O4S.C24H25FN2O5S/c1-15(2)20-12-19(27)13-21(17-8-9-28-25(11-17)34-4)22(20)14-24(30)29-36(32,33)23-7-6-18(10-16(23)3)26(31)35-5;1-15(2)20-12-18(26)13-21(17-8-9-28-25(11-17)33-5)22(20)14-24(30)29-34(31,32)23-7-6-19(27-4)10-16(23)3;1-15(2)20-11-19(26)12-21(18-7-8-28-25(10-18)33-4)22(20)13-24(30)29-34(31,32)23-9-17(14-27)6-5-16(23)3;1-17(2)22-13-20(26)14-23(19-9-11-27-12-10-19)24(22)15-25(30)28-33(31,32)21-7-5-18(6-8-21)16-29(3)4;1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27;1-15(2)20-11-18(25)12-21(17-7-8-26-24(10-17)32-3)22(20)13-23(29)27-33(30,31)19-6-4-5-16(9-19)14-28/h6-13,15H,14H2,1-5H3,(H,29,30);6-13,15H,14H2,1-3,5H3,(H,29,30);5-12,15H,13H2,1-4H3,(H,29,30);5-14,17H,15-16H2,1-4H3,(H,28,30);4-11,14H,12H2,1-3H3,(H,29,30);4-12,15,28H,13-14H2,1-3H3,(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 2905.30 g/mol, XLogP of 25.09, 45 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158839238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).