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

C114H75Br4Cl3N14O19S6 — CID 161412788

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

bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 161412788) has the molecular formula C114H75Br4Cl3N14O19S6 and a molecular weight of 2563.31 g/mol. Its IUPAC name is bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 161412788
• Molecular Formula: C114H75Br4Cl3N14O19S6
• Molecular Weight: 2563.31 g/mol
• Exact Mass: 2555.95
• IUPAC Name: bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• SMILES: Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cn1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nccc(-c2ccccc2)n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cnccn1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cncnc1.O=C(Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C23H14Cl2N2O4S.C23H15ClN2O3S.2C18H13BrN2O3S.2C16H10BrN3O3S/c24-17-8-6-13(10-18(17)25)16-12-32-22(20(16)23(29)30)27-21(28)14-7-9-19(26-11-14)31-15-4-2-1-3-5-15;24-16-8-6-14(7-9-16)17-13-30-20(21(17)23(28)29)12-19(27)22-25-11-10-18(26-22)15-4-2-1-3-5-15;2*1-10-2-3-12(8-20-10)16(22)21-17-15(18(23)24)14(9-25-17)11-4-6-13(19)7-5-11;17-11-3-1-9(2-4-11)12-7-24-15(13(12)16(22)23)20-14(21)10-5-18-8-19-6-10;17-10-3-1-9(2-4-10)11-8-24-15(13(11)16(22)23)20-14(21)12-7-18-5-6-19-12/h1-12H,(H,27,28)(H,29,30);1-11,13H,12H2,(H,28,29);2*2-9H,1H3,(H,21,22)(H,23,24);2*1-8H,(H,20,21)(H,22,23)
• InChIKey: VVRULQWXAPXIQK-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 511.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.31
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 161412788) is bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

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

The canonical SMILES for bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cn1.Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cn1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nccc(-c2ccccc2)n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cnccn1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cncnc1.O=C(Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccc(Oc2ccccc2)nc1.

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

The InChIKey is VVRULQWXAPXIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O4S.C23H15ClN2O3S.2C18H13BrN2O3S.2C16H10BrN3O3S/c24-17-8-6-13(10-18(17)25)16-12-32-22(20(16)23(29)30)27-21(28)14-7-9-19(26-11-14)31-15-4-2-1-3-5-15;24-16-8-6-14(7-9-16)17-13-30-20(21(17)23(28)29)12-19(27)22-25-11-10-18(26-22)15-4-2-1-3-5-15;2*1-10-2-3-12(8-20-10)16(22)21-17-15(18(23)24)14(9-25-17)11-4-6-13(19)7-5-11;17-11-3-1-9(2-4-11)12-7-24-15(13(12)16(22)23)20-14(21)10-5-18-8-19-6-10;17-10-3-1-9(2-4-10)11-8-24-15(13(11)16(22)23)20-14(21)12-7-18-5-6-19-12/h1-12H,(H,27,28)(H,29,30);1-11,13H,12H2,(H,28,29);2*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(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2563.31 g/mol, XLogP of 30.01, 28 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(4-bromophenyl)-2-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);4-(4-bromophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;4-(3,4-dichlorophenyl)-2-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 161412788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).