5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C121H128N28O23S2 — CID 158629647

About 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 158629647) has the molecular formula C121H128N28O23S2 and a molecular weight of 2406.66 g/mol. Its IUPAC name is 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
• PubChem CID: 158629647
• Molecular Formula: C121H128N28O23S2
• Molecular Weight: 2406.66 g/mol
• Exact Mass: 2404.91
• IUPAC Name: 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
• SMILES: COCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)oc(=O)n2-c1ccc(C(=O)Nc2cnccc2N2CCNCC2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccccc3S2(=O)=O)o1
• InChI: InChI=1S/C27H31N7O4.C26H28N6O5S.C25H27N5O5.C22H21N5O5.C21H21N5O4S/c35-26(30-20-19-29-8-7-21(20)32-11-9-28-10-12-32)24-5-6-25(38-24)34-23-4-2-1-3-22(23)33(27(34)36)14-13-31-15-17-37-18-16-31;33-25(29-21-16-28-8-7-22(21)30-13-9-27-10-14-30)23-5-6-24(37-23)32-17-18-3-4-19(15-20(18)26(32)34)38(35,36)31-11-1-2-12-31;1-33-12-13-34-18-3-2-17-16-30(25(32)19(17)14-18)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29;1-30-14-2-3-17-19(12-14)32-22(29)27(17)20-5-4-18(31-20)21(28)25-15-13-24-7-6-16(15)26-10-8-23-9-11-26;27-21(24-16-13-23-8-7-17(16)25-11-9-22-10-12-25)18-5-6-20(30-18)26-14-15-3-1-2-4-19(15)31(26,28)29/h1-8,19,28H,9-18H2,(H,30,35);3-8,15-16,27H,1-2,9-14,17H2,(H,29,33);2-7,14-15,26H,8-13,16H2,1H3,(H,28,31);2-7,12-13,23H,8-11H2,1H3,(H,25,28);1-8,13,22H,9-12,14H2,(H,24,27)
• InChIKey: HZAKSFIGVFTEJX-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 569.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.66
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The IUPAC name of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 158629647) is 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

What is the SMILES notation for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The canonical SMILES for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COCCOc1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COc1ccc2c(c1)oc(=O)n2-c1ccc(C(=O)Nc2cnccc2N2CCNCC2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccc(S(=O)(=O)N4CCCC4)cc3C2=O)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3ccccc3S2(=O)=O)o1.

What is the InChIKey of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

The InChIKey is HZAKSFIGVFTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4.C26H28N6O5S.C25H27N5O5.C22H21N5O5.C21H21N5O4S/c35-26(30-20-19-29-8-7-21(20)32-11-9-28-10-12-32)24-5-6-25(38-24)34-23-4-2-1-3-22(23)33(27(34)36)14-13-31-15-17-37-18-16-31;33-25(29-21-16-28-8-7-22(21)30-13-9-27-10-14-30)23-5-6-24(37-23)32-17-18-3-4-19(15-20(18)26(32)34)38(35,36)31-11-1-2-12-31;1-33-12-13-34-18-3-2-17-16-30(25(32)19(17)14-18)23-5-4-22(35-23)24(31)28-20-15-27-7-6-21(20)29-10-8-26-9-11-29;1-30-14-2-3-17-19(12-14)32-22(29)27(17)20-5-4-18(31-20)21(28)25-15-13-24-7-6-16(15)26-10-8-23-9-11-26;27-21(24-16-13-23-8-7-17(16)25-11-9-22-10-12-25)18-5-6-20(30-18)26-14-15-3-1-2-4-19(15)31(26,28)29/h1-8,19,28H,9-18H2,(H,30,35);3-8,15-16,27H,1-2,9-14,17H2,(H,29,33);2-7,14-15,26H,8-13,16H2,1H3,(H,28,31);2-7,12-13,23H,8-11H2,1H3,(H,25,28);1-8,13,22H,9-12,14H2,(H,24,27).

What are the key properties of 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?

5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 2406.66 g/mol, XLogP of 10.87, 30 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(3-oxo-5-pyrrolidin-1-ylsulfonyl-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 158629647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).