2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane

C119H83Cl4F3N15O23S7+ — CID 161343789

About 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane

2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane (PubChem CID 161343789) has the molecular formula C119H83Cl4F3N15O23S7+ and a molecular weight of 2514.33 g/mol. Its IUPAC name is 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane
• PubChem CID: 161343789
• Molecular Formula: C119H83Cl4F3N15O23S7+
• Molecular Weight: 2514.33 g/mol
• Exact Mass: 2510.25
• IUPAC Name: 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane
• SMILES: C.C.C.Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4[nH]c3=O)c2C(=O)O)c(F)c1F.Cc1ccc(F)cc1-c1csc(NC(=O)c2nc3ccccc3o2)c1C(=O)O.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2[nH+]onc2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2c(c1)=NCN=2.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1sc2ncccc2c1O
• InChI: InChI=1S/C21H13F2N3O4S.C20H13FN2O4S.C19H12ClN3O3S.C19H11ClN2O4S2.C19H11ClN2O4S.C18H10ClN3O4S.3CH4/c1-9-6-7-10(16(23)15(9)22)11-8-31-20(14(11)21(29)30)26-19(28)17-18(27)25-13-5-3-2-4-12(13)24-17;1-10-6-7-11(21)8-12(10)13-9-28-19(16(13)20(25)26)23-17(24)18-22-14-4-2-3-5-15(14)27-18;20-12-4-1-10(2-5-12)13-8-27-18(16(13)19(25)26)23-17(24)11-3-6-14-15(7-11)22-9-21-14;20-10-5-3-9(4-6-10)12-8-27-18(13(12)19(25)26)22-16(24)15-14(23)11-2-1-7-21-17(11)28-15;20-11-5-3-10(4-6-11)12-9-27-18(16(12)19(24)25)22-17(23)15-8-13-14(26-15)2-1-7-21-13;19-11-4-1-9(2-5-11)12-8-27-17(15(12)18(24)25)20-16(23)10-3-6-13-14(7-10)22-26-21-13;;;/h2-8H,1H3,(H,25,27)(H,26,28)(H,29,30);2-9H,1H3,(H,23,24)(H,25,26);1-8H,9H2,(H,23,24)(H,25,26);1-8,23H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-8H,(H,20,23)(H,24,25);3*1H4/p+1
• InChIKey: VNAJTIQBSCADJL-UHFFFAOYSA-O
• XLogP: 28.75
• TPSA: 594.22 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.33
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The IUPAC name of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane (CID 161343789) is 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane.

What is the SMILES notation for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The canonical SMILES for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane is C.C.C.Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4[nH]c3=O)c2C(=O)O)c(F)c1F.Cc1ccc(F)cc1-c1csc(NC(=O)c2nc3ccccc3o2)c1C(=O)O.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2[nH+]onc2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2c(c1)=NCN=2.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1sc2ncccc2c1O.

What is the InChIKey of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The InChIKey is VNAJTIQBSCADJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H13F2N3O4S.C20H13FN2O4S.C19H12ClN3O3S.C19H11ClN2O4S2.C19H11ClN2O4S.C18H10ClN3O4S.3CH4/c1-9-6-7-10(16(23)15(9)22)11-8-31-20(14(11)21(29)30)26-19(28)17-18(27)25-13-5-3-2-4-12(13)24-17;1-10-6-7-11(21)8-12(10)13-9-28-19(16(13)20(25)26)23-17(24)18-22-14-4-2-3-5-15(14)27-18;20-12-4-1-10(2-5-12)13-8-27-18(16(13)19(25)26)23-17(24)11-3-6-14-15(7-11)22-9-21-14;20-10-5-3-9(4-6-10)12-8-27-18(13(12)19(25)26)22-16(24)15-14(23)11-2-1-7-21-17(11)28-15;20-11-5-3-10(4-6-11)12-9-27-18(16(12)19(24)25)22-17(23)15-8-13-14(26-15)2-1-7-21-13;19-11-4-1-9(2-5-11)12-8-27-17(15(12)18(24)25)20-16(23)10-3-6-13-14(7-10)22-26-21-13;;;/h2-8H,1H3,(H,25,27)(H,26,28)(H,29,30);2-9H,1H3,(H,23,24)(H,25,26);1-8H,9H2,(H,23,24)(H,25,26);1-8,23H,(H,22,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-8H,(H,20,23)(H,24,25);3*1H4/p+1.

What are the key properties of 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane?

2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane has a molecular weight of 2514.33 g/mol, XLogP of 28.75, 24 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(2,1,3-benzoxadiazol-1-ium-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-fluoro-2-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;methane is sourced from PubChem (CID 161343789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).