2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

C127H96Br5Cl2N15O23S7+2 — CID 159426015

About 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 159426015) has the molecular formula C127H96Br5Cl2N15O23S7+2 and a molecular weight of 2895.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 159426015
• Molecular Formula: C127H96Br5Cl2N15O23S7+2
• Molecular Weight: 2895.14 g/mol
• Exact Mass: 2887.01
• IUPAC Name: 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1ccc(Br)cc1.COc1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)n1.COc1cccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)n1.C[n+]1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cc1.C[n+]1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccnc1
• InChI: InChI=1S/C20H18BrN3O3S.C18H13BrN2O4S.2C18H13BrN2O3S.C18H13ClN2O4S.C18H13ClN2O3S.C17H11BrN2O3S/c1-20(2,3)27-19(26)16-15(24-18(25)14-10-22-8-9-23-14)11-28-17(16)12-4-6-13(21)7-5-12;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-21-8-6-12(7-9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-2-4-13(19)5-3-11;1-21-8-2-3-12(9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;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;18-12-5-3-10(4-6-12)15-14(17(22)23)13(9-24-15)20-16(21)11-2-1-7-19-8-11/h4-11H,1-3H3,(H,24,25);2-9H,1H3,(H,21,22)(H,23,24);2*2-10H,1H3,(H-,20,22,23,24);2-9H,1H3,(H,21,22)(H,23,24);2-9H,1H3,(H,21,22)(H,23,24);1-9H,(H,20,21)(H,22,23)/p+2
• InChIKey: LQJAMAXOBPCOQY-UHFFFAOYSA-P
• XLogP: 31.28
• TPSA: 557.36 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2895.14
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 159426015) is 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1ccc(Br)cc1.COc1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)n1.COc1cccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)n1.C[n+]1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)cc1.C[n+]1cccc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccnc1.

What is the InChIKey of 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

The InChIKey is LQJAMAXOBPCOQY-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H18BrN3O3S.C18H13BrN2O4S.2C18H13BrN2O3S.C18H13ClN2O4S.C18H13ClN2O3S.C17H11BrN2O3S/c1-20(2,3)27-19(26)16-15(24-18(25)14-10-22-8-9-23-14)11-28-17(16)12-4-6-13(21)7-5-12;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;1-21-8-6-12(7-9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-2-4-13(19)5-3-11;1-21-8-2-3-12(9-21)17(22)20-14-10-25-16(15(14)18(23)24)11-4-6-13(19)7-5-11;1-25-14-4-2-3-12(20-14)17(22)21-13-9-26-16(15(13)18(23)24)10-5-7-11(19)8-6-10;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;18-12-5-3-10(4-6-12)15-14(17(22)23)13(9-24-15)20-16(21)11-2-1-7-19-8-11/h4-11H,1-3H3,(H,24,25);2-9H,1H3,(H,21,22)(H,23,24);2*2-10H,1H3,(H-,20,22,23,24);2-9H,1H3,(H,21,22)(H,23,24);2-9H,1H3,(H,21,22)(H,23,24);1-9H,(H,20,21)(H,22,23)/p+2.

What are the key properties of 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?

2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2895.14 g/mol, XLogP of 31.28, 30 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1-methylpyridin-1-ium-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(6-methoxypyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 159426015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).