bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

C132H88Br4Cl4N16O22S7 — CID 160825229

About bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 160825229) has the molecular formula C132H88Br4Cl4N16O22S7 and a molecular weight of 2936.14 g/mol. Its IUPAC name is bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 160825229
• Molecular Formula: C132H88Br4Cl4N16O22S7
• Molecular Weight: 2936.14 g/mol
• Exact Mass: 2927.98
• IUPAC Name: bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• SMILES: Cc1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nccc(-c2ccccc2)n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cnccn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cncnc1.O=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C23H14Cl2N2O4S.C23H15ClN2O3S.2C18H13BrN2O3S.C18H13ClN2O3S.2C16H10BrN3O3S/c24-16-8-6-13(10-17(16)25)21-20(23(29)30)18(12-32-21)27-22(28)14-7-9-19(26-11-14)31-15-4-2-1-3-5-15;24-17-8-6-15(7-9-17)21-20(23(28)29)16(13-30-21)12-19(27)22-25-11-10-18(26-22)14-4-2-1-3-5-14;3*1-10-2-3-12(8-20-10)17(22)21-14-9-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;17-11-3-1-9(2-4-11)14-13(16(22)23)12(7-24-14)20-15(21)10-5-18-8-19-6-10;17-10-3-1-9(2-4-10)14-13(16(22)23)12(8-24-14)20-15(21)11-7-18-5-6-19-11/h1-12H,(H,27,28)(H,29,30);1-11,13H,12H2,(H,28,29);3*2-9H,1H3,(H,21,22)(H,23,24);2*1-8H,(H,20,21)(H,22,23)
• InChIKey: SGBLKVJFIAEAMP-UHFFFAOYSA-N
• XLogP: 34.73
• TPSA: 590.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2936.14
LogP ≤ 5	34.73
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The IUPAC name of bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 160825229) is bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

What is the SMILES notation for bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The canonical SMILES for bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nccc(-c2ccccc2)n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cnccn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cncnc1.O=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The InChIKey is SGBLKVJFIAEAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O4S.C23H15ClN2O3S.2C18H13BrN2O3S.C18H13ClN2O3S.2C16H10BrN3O3S/c24-16-8-6-13(10-17(16)25)21-20(23(29)30)18(12-32-21)27-22(28)14-7-9-19(26-11-14)31-15-4-2-1-3-5-15;24-17-8-6-15(7-9-17)21-20(23(28)29)16(13-30-21)12-19(27)22-25-11-10-18(26-22)14-4-2-1-3-5-14;3*1-10-2-3-12(8-20-10)17(22)21-14-9-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;17-11-3-1-9(2-4-11)14-13(16(22)23)12(7-24-14)20-15(21)10-5-18-8-19-6-10;17-10-3-1-9(2-4-10)14-13(16(22)23)12(8-24-14)20-15(21)11-7-18-5-6-19-11/h1-12H,(H,27,28)(H,29,30);1-11,13H,12H2,(H,28,29);3*2-9H,1H3,(H,21,22)(H,23,24);2*1-8H,(H,20,21)(H,22,23).

What are the key properties of bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2936.14 g/mol, XLogP of 34.73, 32 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 160825229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).