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

C119H110Cl6F2N12O15S8 — CID 159220426

IUPACN-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
SMILESCCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3CC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3F)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C21H21ClN2O2S.C20H19ClN2O3S2.C20H19ClN2O3S.C20H19ClN2O2S.C19H16ClFN2O3S2.C19H16ClFN2O2S/c1-4-13-10-15(26-3)7-9-16(13)21(25)23-14-6-8-17(18(22)11-14)19-12-27-20(5-2)24-19;1-4-19-23-18(11-27-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(9-12(15)2)28(3,25)26;1-4-19-23-17(11-27-19)14-7-5-12(9-16(14)21)22-20(24)15-8-6-13(25-2)10-18(15)26-3;1-4-19-23-18(11-26-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(25-3)9-12(15)2;1-3-18-23-17(10-27-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(9-16(14)21)28(2,25)26;1-3-18-23-17(10-26-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(25-2)9-16(14)21/h6-12H,4-5H2,1-3H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24)
InChIKeyKRPNVFUXWKNRMB-UHFFFAOYSA-N
MW2455.51 g/mol
LogP31.98
Rot. Bonds32

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

N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide (PubChem CID 159220426) has the molecular formula C119H110Cl6F2N12O15S8 and a molecular weight of 2455.51 g/mol. Its IUPAC name is N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
PubChem CID159220426
Molecular FormulaC119H110Cl6F2N12O15S8
Molecular Weight2455.51 g/mol
Exact Mass2450.41
IUPAC NameN-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
SMILESCCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3CC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3F)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C21H21ClN2O2S.C20H19ClN2O3S2.C20H19ClN2O3S.C20H19ClN2O2S.C19H16ClFN2O3S2.C19H16ClFN2O2S/c1-4-13-10-15(26-3)7-9-16(13)21(25)23-14-6-8-17(18(22)11-14)19-12-27-20(5-2)24-19;1-4-19-23-18(11-27-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(9-12(15)2)28(3,25)26;1-4-19-23-17(11-27-19)14-7-5-12(9-16(14)21)22-20(24)15-8-6-13(25-2)10-18(15)26-3;1-4-19-23-18(11-26-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(25-3)9-12(15)2;1-3-18-23-17(10-27-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(9-16(14)21)28(2,25)26;1-3-18-23-17(10-26-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(25-2)9-16(14)21/h6-12H,4-5H2,1-3H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24)
InChIKeyKRPNVFUXWKNRMB-UHFFFAOYSA-N
XLogP31.98
TPSA366.37 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002455.51
LogP ≤ 531.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-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-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide (CID 159220426) is N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide is CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3CC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3F)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3C)cc2Cl)cs1.CCc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1.
What is the InChIKey of N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
The InChIKey is KRPNVFUXWKNRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S.C20H19ClN2O3S2.C20H19ClN2O3S.C20H19ClN2O2S.C19H16ClFN2O3S2.C19H16ClFN2O2S/c1-4-13-10-15(26-3)7-9-16(13)21(25)23-14-6-8-17(18(22)11-14)19-12-27-20(5-2)24-19;1-4-19-23-18(11-27-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(9-12(15)2)28(3,25)26;1-4-19-23-17(11-27-19)14-7-5-12(9-16(14)21)22-20(24)15-8-6-13(25-2)10-18(15)26-3;1-4-19-23-18(11-26-19)16-7-5-13(10-17(16)21)22-20(24)15-8-6-14(25-3)9-12(15)2;1-3-18-23-17(10-27-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(9-16(14)21)28(2,25)26;1-3-18-23-17(10-26-18)13-6-4-11(8-15(13)20)22-19(24)14-7-5-12(25-2)9-16(14)21/h6-12H,4-5H2,1-3H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);5-11H,4H2,1-3H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24);4-10H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide?
N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide has a molecular weight of 2455.51 g/mol, XLogP of 31.98, 32 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[3-chloro-4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 159220426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).