N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide

C136H123Cl7F2N16O17S9 — CID 159003137

IUPACN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C24H27ClN4O2S.C19H17ClN2O3S2.C19H17ClN2O3S.2C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-16-26-23(15-32-16)21-6-4-18(13-22(21)25)27-24(30)20-7-5-19(31-3)12-17(20)14-29-10-8-28(2)9-11-29;1-11-8-14(27(3,24)25)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-26-12(2)21-18;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;2*1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,27,30);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);2*4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23)
InChIKeyJROWVVZLSLPUJV-UHFFFAOYSA-N
MW2828.34 g/mol
LogP34.98
Rot. Bonds31

About N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide

N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide (PubChem CID 159003137) has the molecular formula C136H123Cl7F2N16O17S9 and a molecular weight of 2828.34 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
PubChem CID159003137
Molecular FormulaC136H123Cl7F2N16O17S9
Molecular Weight2828.34 g/mol
Exact Mass2822.45
IUPAC NameN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C24H27ClN4O2S.C19H17ClN2O3S2.C19H17ClN2O3S.2C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-16-26-23(15-32-16)21-6-4-18(13-22(21)25)27-24(30)20-7-5-19(31-3)12-17(20)14-29-10-8-28(2)9-11-29;1-11-8-14(27(3,24)25)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-26-12(2)21-18;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;2*1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,27,30);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);2*4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23)
InChIKeyJROWVVZLSLPUJV-UHFFFAOYSA-N
XLogP34.98
TPSA424.07 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002828.34
LogP ≤ 534.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide (CID 159003137) is N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(CN2CCN(C)CC2)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1.
What is the InChIKey of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The InChIKey is JROWVVZLSLPUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S.C19H17ClN2O3S2.C19H17ClN2O3S.2C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-16-26-23(15-32-16)21-6-4-18(13-22(21)25)27-24(30)20-7-5-19(31-3)12-17(20)14-29-10-8-28(2)9-11-29;1-11-8-14(27(3,24)25)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-26-12(2)21-18;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;2*1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,27,30);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);2*4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23).
What are the key properties of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide has a molecular weight of 2828.34 g/mol, XLogP of 34.98, 31 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;bis(N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide);N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 159003137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).