2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide

C150H158F2N16O17S9 — CID 158734368

IUPAC2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCC(C)c1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2)cs1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(OC)c1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(-c2csc(C(C)C)n2)cc1
InChIInChI=1S/C26H32N4O2S.C21H22N2O3S2.C21H22N2O3S.2C21H22N2O2S.C20H19FN2O3S2.C20H19FN2O2S/c1-18(2)26-28-24(17-33-26)19-5-7-21(8-6-19)27-25(31)23-10-9-22(32-4)15-20(23)16-30-13-11-29(3)12-14-30;1-13(2)21-23-19(12-27-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(11-14(18)3)28(4,25)26;1-13(2)21-23-18(12-27-21)14-5-7-15(8-6-14)22-20(24)17-10-9-16(25-3)11-19(17)26-4;2*1-13(2)21-23-19(12-26-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(25-4)11-14(18)3;1-12(2)20-23-18(11-27-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(10-17(16)21)28(3,25)26;1-12(2)20-23-18(11-26-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(25-3)10-17(16)21/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,27,31);5-13H,1-4H3,(H,22,24);5-13H,1-4H3,(H,22,24);2*5-13H,1-4H3,(H,22,24);4-12H,1-3H3,(H,22,24);4-12H,1-3H3,(H,22,24)
InChIKeyILMKZIVEHDGYAU-UHFFFAOYSA-N
MW2783.61 g/mol
LogP36.11
Rot. Bonds38

About 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide

2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 158734368) has the molecular formula C150H158F2N16O17S9 and a molecular weight of 2783.61 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID158734368
Molecular FormulaC150H158F2N16O17S9
Molecular Weight2783.61 g/mol
Exact Mass2780.94
IUPAC Name2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCC(C)c1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2)cs1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(OC)c1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(-c2csc(C(C)C)n2)cc1
InChIInChI=1S/C26H32N4O2S.C21H22N2O3S2.C21H22N2O3S.2C21H22N2O2S.C20H19FN2O3S2.C20H19FN2O2S/c1-18(2)26-28-24(17-33-26)19-5-7-21(8-6-19)27-25(31)23-10-9-22(32-4)15-20(23)16-30-13-11-29(3)12-14-30;1-13(2)21-23-19(12-27-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(11-14(18)3)28(4,25)26;1-13(2)21-23-18(12-27-21)14-5-7-15(8-6-14)22-20(24)17-10-9-16(25-3)11-19(17)26-4;2*1-13(2)21-23-19(12-26-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(25-4)11-14(18)3;1-12(2)20-23-18(11-27-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(10-17(16)21)28(3,25)26;1-12(2)20-23-18(11-26-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(25-3)10-17(16)21/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,27,31);5-13H,1-4H3,(H,22,24);5-13H,1-4H3,(H,22,24);2*5-13H,1-4H3,(H,22,24);4-12H,1-3H3,(H,22,24);4-12H,1-3H3,(H,22,24)
InChIKeyILMKZIVEHDGYAU-UHFFFAOYSA-N
XLogP36.11
TPSA424.07 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.61
LogP ≤ 536.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 158734368) is 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is CC(C)c1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2)cs1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C(C)C)n3)cc2)c(OC)c1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(-c2csc(C(C)C)n2)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is ILMKZIVEHDGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S.C21H22N2O3S2.C21H22N2O3S.2C21H22N2O2S.C20H19FN2O3S2.C20H19FN2O2S/c1-18(2)26-28-24(17-33-26)19-5-7-21(8-6-19)27-25(31)23-10-9-22(32-4)15-20(23)16-30-13-11-29(3)12-14-30;1-13(2)21-23-19(12-27-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(11-14(18)3)28(4,25)26;1-13(2)21-23-18(12-27-21)14-5-7-15(8-6-14)22-20(24)17-10-9-16(25-3)11-19(17)26-4;2*1-13(2)21-23-19(12-26-21)15-5-7-16(8-6-15)22-20(24)18-10-9-17(25-4)11-14(18)3;1-12(2)20-23-18(11-27-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(10-17(16)21)28(3,25)26;1-12(2)20-23-18(11-26-20)13-4-6-14(7-5-13)22-19(24)16-9-8-15(25-3)10-17(16)21/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,27,31);5-13H,1-4H3,(H,22,24);5-13H,1-4H3,(H,22,24);2*5-13H,1-4H3,(H,22,24);4-12H,1-3H3,(H,22,24);4-12H,1-3H3,(H,22,24).
What are the key properties of 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 2783.61 g/mol, XLogP of 36.11, 38 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methoxy-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2-fluoro-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;bis(4-methoxy-2-methyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide);2-methyl-4-methylsulfonyl-N-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 158734368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).