N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide

C181H211Cl6FN16O30S — CID 54408049

About N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide

N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide (PubChem CID 54408049) has the molecular formula C181H211Cl6FN16O30S and a molecular weight of 3354.54 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide.

Molecular Properties

• Compound Name: N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide
• PubChem CID: 54408049
• Molecular Formula: C181H211Cl6FN16O30S
• Molecular Weight: 3354.54 g/mol
• Exact Mass: 3349.33
• IUPAC Name: N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide
• SMILES: CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(C)cc1Cl.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Oc1ccc(OC)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Oc1ccc(C)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(F)cc2)cc1OCCO.CCCCCCCCCCCCCCCCS(=O)OC(C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)cc2)cc1Oc1ccc(OC)cc1)C(C)C.CCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C)cc2C)c(O)c1Cl
• InChI: InChI=1S/C42H58N4O7S.C35H35ClN4O6.C34H35Cl2N3O5.C29H34FN3O6.C21H26ClNO3.C20H23Cl2NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-54(50)53-40(31(2)3)41(48)45-37-28-38(47)36(29-39(37)52-35-25-23-34(51-4)24-26-35)46-42(49)44-33-21-19-32(30-43)20-22-33;1-5-6-7-32(46-31-15-8-21(2)16-22(31)3)34(42)39-29-18-30(41)28(19-33(29)45-26-13-11-25(44-4)12-14-26)40-35(43)38-24-10-9-23(20-37)27(36)17-24;1-5-6-7-31(44-30-15-10-21(3)16-22(30)4)33(41)38-28-18-29(40)27(19-32(28)43-24-12-8-20(2)9-13-24)39-34(42)37-23-11-14-25(35)26(36)17-23;1-4-5-6-26(39-25-12-7-18(2)15-19(25)3)28(36)32-23-16-24(35)22(17-27(23)38-14-13-34)33-29(37)31-21-10-8-20(30)9-11-21;1-5-6-7-20(26-19-9-8-13(2)10-15(19)4)21(25)23-17-12-18(24)14(3)11-16(17)22;1-5-13-14(21)10-15(19(24)18(13)22)23-20(25)16(6-2)26-17-8-7-11(3)9-12(17)4/h19-26,28-29,31,40,47H,5-18,27H2,1-4H3,(H,45,48)(H2,44,46,49);8-19,32,41H,5-7H2,1-4H3,(H,39,42)(H2,38,40,43);8-19,31,40H,5-7H2,1-4H3,(H,38,41)(H2,37,39,42);7-12,15-17,26,34-35H,4-6,13-14H2,1-3H3,(H,32,36)(H2,31,33,37);8-12,20,24H,5-7H2,1-4H3,(H,23,25);7-10,16,24H,5-6H2,1-4H3,(H,23,25)
• InChIKey: VSDPSQKXLLGKEB-UHFFFAOYSA-N
• XLogP: 45.99
• TPSA: 656.14 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 32
• Rotatable Bonds: 73
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3354.54
LogP ≤ 5	45.99
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide?

The IUPAC name of N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide (CID 54408049) is N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide.

What is the SMILES notation for N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide?

The canonical SMILES for N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide is CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(C)cc1Cl.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Oc1ccc(OC)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Oc1ccc(C)cc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(F)cc2)cc1OCCO.CCCCCCCCCCCCCCCCS(=O)OC(C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)cc2)cc1Oc1ccc(OC)cc1)C(C)C.CCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C)cc2C)c(O)c1Cl.

What is the InChIKey of N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide?

The InChIKey is VSDPSQKXLLGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58N4O7S.C35H35ClN4O6.C34H35Cl2N3O5.C29H34FN3O6.C21H26ClNO3.C20H23Cl2NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-54(50)53-40(31(2)3)41(48)45-37-28-38(47)36(29-39(37)52-35-25-23-34(51-4)24-26-35)46-42(49)44-33-21-19-32(30-43)20-22-33;1-5-6-7-32(46-31-15-8-21(2)16-22(31)3)34(42)39-29-18-30(41)28(19-33(29)45-26-13-11-25(44-4)12-14-26)40-35(43)38-24-10-9-23(20-37)27(36)17-24;1-5-6-7-31(44-30-15-10-21(3)16-22(30)4)33(41)38-28-18-29(40)27(19-32(28)43-24-12-8-20(2)9-13-24)39-34(42)37-23-11-14-25(35)26(36)17-23;1-4-5-6-26(39-25-12-7-18(2)15-19(25)3)28(36)32-23-16-24(35)22(17-27(23)38-14-13-34)33-29(37)31-21-10-8-20(30)9-11-21;1-5-6-7-20(26-19-9-8-13(2)10-15(19)4)21(25)23-17-12-18(24)14(3)11-16(17)22;1-5-13-14(21)10-15(19(24)18(13)22)23-20(25)16(6-2)26-17-8-7-11(3)9-12(17)4/h19-26,28-29,31,40,47H,5-18,27H2,1-4H3,(H,45,48)(H2,44,46,49);8-19,32,41H,5-7H2,1-4H3,(H,39,42)(H2,38,40,43);8-19,31,40H,5-7H2,1-4H3,(H,38,41)(H2,37,39,42);7-12,15-17,26,34-35H,4-6,13-14H2,1-3H3,(H,32,36)(H2,31,33,37);8-12,20,24H,5-7H2,1-4H3,(H,23,25);7-10,16,24H,5-6H2,1-4H3,(H,23,25).

What are the key properties of N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide?

N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide has a molecular weight of 3354.54 g/mol, XLogP of 45.99, 73 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide is sourced from PubChem (CID 54408049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).