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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

C156H104Br4Cl5N17O25S8 — CID 158649282

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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 158649282) has the molecular formula C156H104Br4Cl5N17O25S8 and a molecular weight of 3370.06 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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 158649282
• Molecular Formula: C156H104Br4Cl5N17O25S8
• Molecular Weight: 3370.06 g/mol
• Exact Mass: 3361.03
• 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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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)cc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc(-c2ccccc2)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.2C23H15ClN2O3S.C19H14ClNO3S.2C18H13BrN2O3S.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;24-18-8-6-15(7-9-18)21-20(23(28)29)16(13-30-21)10-19(27)22-25-11-17(12-26-22)14-4-2-1-3-5-14;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;1-11-2-4-13(5-3-11)18(22)21-15-10-25-17(16(15)19(23)24)12-6-8-14(20)9-7-12;2*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);1-9,11-13H,10H2,(H,28,29);1-11,13H,12H2,(H,28,29);2-10H,1H3,(H,21,22)(H,23,24);2*2-9H,1H3,(H,21,22)(H,23,24);2*1-8H,(H,20,21)(H,22,23)
• InChIKey: IBIRQIHFJYQAQE-UHFFFAOYSA-N
• XLogP: 40.98
• TPSA: 658.16 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3370.06
LogP ≤ 5	40.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 158649282) 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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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)cc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc(-c2ccccc2)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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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 IBIRQIHFJYQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O4S.2C23H15ClN2O3S.C19H14ClNO3S.2C18H13BrN2O3S.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;24-18-8-6-15(7-9-18)21-20(23(28)29)16(13-30-21)10-19(27)22-25-11-17(12-26-22)14-4-2-1-3-5-14;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;1-11-2-4-13(5-3-11)18(22)21-15-10-25-17(16(15)19(23)24)12-6-8-14(20)9-7-12;2*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);1-9,11-13H,10H2,(H,28,29);1-11,13H,12H2,(H,28,29);2-10H,1H3,(H,21,22)(H,23,24);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(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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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 3370.06 g/mol, XLogP of 40.98, 38 rotatable bonds, 14 hydrogen bond donors, and 36 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-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-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 158649282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).