5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide

C131H122N10O23S9V — CID 159933432

About 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide

5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide (PubChem CID 159933432) has the molecular formula C131H122N10O23S9V and a molecular weight of 2544.01 g/mol. Its IUPAC name is 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide.

Molecular Properties

• Compound Name: 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide
• PubChem CID: 159933432
• Molecular Formula: C131H122N10O23S9V
• Molecular Weight: 2544.01 g/mol
• Exact Mass: 2541.56
• IUPAC Name: 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide
• SMILES: C/C(=N\CC(=O)c1ccc(C(=O)CCCc2ccncc2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.C/C(=N\CC(=O)c1ccc(C(=O)CCc2ccncc2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.C/C(=N\CC(=O)c1ccc(C(=O)N2CCCC2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.CCN(CC)C(=O)c1ccc(C(=O)C/N=C(\C)c2csc(-c3ccc4c(c3)CCO4)c2O)s1.COC(=O)c1ccc(C(=O)C/N=C(\C)c2csc(-c3ccc4c(c3)CCO4)c2O)cc1[NH+]=O.[OH-].[V]
• InChI: InChI=1S/C29H26N2O4S2.C28H24N2O4S2.C25H24N2O4S2.C25H26N2O4S2.C24H20N2O6S.H2O.V/c1-18(22-17-36-29(28(22)34)21-5-6-25-20(15-21)11-14-35-25)31-16-24(33)27-8-7-26(37-27)23(32)4-2-3-19-9-12-30-13-10-19;1-17(21-16-35-28(27(21)33)20-3-5-24-19(14-20)10-13-34-24)30-15-23(32)26-7-6-25(36-26)22(31)4-2-18-8-11-29-12-9-18;1-15(18-14-32-24(23(18)29)17-4-5-20-16(12-17)8-11-31-20)26-13-19(28)21-6-7-22(33-21)25(30)27-9-2-3-10-27;1-4-27(5-2)25(30)22-9-8-21(33-22)19(28)13-26-15(3)18-14-32-24(23(18)29)17-6-7-20-16(12-17)10-11-31-20;1-13(25-11-20(27)14-3-5-17(24(29)31-2)19(10-14)26-30)18-12-33-23(22(18)28)16-4-6-21-15(9-16)7-8-32-21;;/h5-10,12-13,15,17,34H,2-4,11,14,16H2,1H3;3,5-9,11-12,14,16,33H,2,4,10,13,15H2,1H3;4-7,12,14,29H,2-3,8-11,13H2,1H3;6-9,12,14,29H,4-5,10-11,13H2,1-3H3;3-6,9-10,12,28H,7-8,11H2,1-2H3;1H2;/b31-18+;30-17+;2*26-15+;25-13+
• InChIKey: NAHQFXMHDNGZGM-OQUHTLLWSA-N
• XLogP: 25.60
• TPSA: 482.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.01
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide?

The IUPAC name of 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide (CID 159933432) is 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide.

What is the SMILES notation for 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide?

The canonical SMILES for 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide is C/C(=N\CC(=O)c1ccc(C(=O)CCCc2ccncc2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.C/C(=N\CC(=O)c1ccc(C(=O)CCc2ccncc2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.C/C(=N\CC(=O)c1ccc(C(=O)N2CCCC2)s1)c1csc(-c2ccc3c(c2)CCO3)c1O.CCN(CC)C(=O)c1ccc(C(=O)C/N=C(\C)c2csc(-c3ccc4c(c3)CCO4)c2O)s1.COC(=O)c1ccc(C(=O)C/N=C(\C)c2csc(-c3ccc4c(c3)CCO4)c2O)cc1[NH+]=O.[OH-].[V].

What is the InChIKey of 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide?

The InChIKey is NAHQFXMHDNGZGM-OQUHTLLWSA-N. The full InChI is InChI=1S/C29H26N2O4S2.C28H24N2O4S2.C25H24N2O4S2.C25H26N2O4S2.C24H20N2O6S.H2O.V/c1-18(22-17-36-29(28(22)34)21-5-6-25-20(15-21)11-14-35-25)31-16-24(33)27-8-7-26(37-27)23(32)4-2-3-19-9-12-30-13-10-19;1-17(21-16-35-28(27(21)33)20-3-5-24-19(14-20)10-13-34-24)30-15-23(32)26-7-6-25(36-26)22(31)4-2-18-8-11-29-12-9-18;1-15(18-14-32-24(23(18)29)17-4-5-20-16(12-17)8-11-31-20)26-13-19(28)21-6-7-22(33-21)25(30)27-9-2-3-10-27;1-4-27(5-2)25(30)22-9-8-21(33-22)19(28)13-26-15(3)18-14-32-24(23(18)29)17-6-7-20-16(12-17)10-11-31-20;1-13(25-11-20(27)14-3-5-17(24(29)31-2)19(10-14)26-30)18-12-33-23(22(18)28)16-4-6-21-15(9-16)7-8-32-21;;/h5-10,12-13,15,17,34H,2-4,11,14,16H2,1H3;3,5-9,11-12,14,16,33H,2,4,10,13,15H2,1H3;4-7,12,14,29H,2-3,8-11,13H2,1H3;6-9,12,14,29H,4-5,10-11,13H2,1-3H3;3-6,9-10,12,28H,7-8,11H2,1-2H3;1H2;/b31-18+;30-17+;2*26-15+;25-13+;;.

What are the key properties of 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide?

5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide has a molecular weight of 2544.01 g/mol, XLogP of 25.60, 40 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-N,N-diethylthiophene-2-carboxamide;[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]-2-methoxycarbonylphenyl]-oxoazanium;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-4-pyridin-4-ylbutan-1-one;1-[5-[2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]thiophen-2-yl]-3-pyridin-4-ylpropan-1-one;2-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-1-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;vanadium;hydroxide is sourced from PubChem (CID 159933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).