(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide

C155H170N22O29S3 — CID 167710615

About (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide

(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide (PubChem CID 167710615) has the molecular formula C155H170N22O29S3 and a molecular weight of 2901.39 g/mol. Its IUPAC name is (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide
• PubChem CID: 167710615
• Molecular Formula: C155H170N22O29S3
• Molecular Weight: 2901.39 g/mol
• Exact Mass: 2899.17
• IUPAC Name: (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide
• SMILES: CCC(O)CNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.CN1CCN(c2ccc3cc(-c4ccc(/C=C(\C#N)C(=O)NCC(O)CO)o4)ccc3c2)CC1.CN1CCN(c2ccc3cc(-c4ccc(/C=C(\C#N)S(=O)(=O)NCC(O)CO)o4)ccc3c2)CC1.N#C/C(=C\c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1)C(=O)NCC(O)CO.N#C/C(=C\c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1)S(=O)(=O)NCC(O)CO
• InChI: InChI=1S/C28H32N4O4.C27H32N4O5S.C26H28N4O4.C25H28N4O5S.C25H25N3O5.C24H25N3O6S/c1-2-25(33)19-31-28(34)23(18-29)17-26-7-8-27(36-26)22-4-3-21-16-24(6-5-20(21)15-22)30-9-10-32-11-13-35-14-12-32;1-2-24(32)19-30-37(33,34)26(18-28)17-25-7-8-27(36-25)22-4-3-21-16-23(6-5-20(21)15-22)29-9-10-31-11-13-35-14-12-31;1-29-8-10-30(11-9-29)22-5-4-18-12-20(3-2-19(18)13-22)25-7-6-24(34-25)14-21(15-27)26(33)28-16-23(32)17-31;1-28-8-10-29(11-9-28)21-5-4-18-12-20(3-2-19(18)13-21)25-7-6-23(34-25)14-24(15-26)35(32,33)27-16-22(31)17-30;26-14-20(25(31)27-15-22(30)16-29)13-23-5-6-24(33-23)19-2-1-18-12-21(4-3-17(18)11-19)28-7-9-32-10-8-28;25-14-23(34(30,31)26-15-21(29)16-28)13-22-5-6-24(33-22)19-2-1-18-12-20(4-3-17(18)11-19)27-7-9-32-10-8-27/h3-8,15-17,25,30,33H,2,9-14,19H2,1H3,(H,31,34);3-8,15-17,24,29-30,32H,2,9-14,19H2,1H3;2-7,12-14,23,31-32H,8-11,16-17H2,1H3,(H,28,33);2-7,12-14,22,27,30-31H,8-11,16-17H2,1H3;1-6,11-13,22,29-30H,7-10,15-16H2,(H,27,31);1-6,11-13,21,26,28-29H,7-10,15-16H2/b23-17+;26-17+;21-14+;24-14+;20-13+;23-13+
• InChIKey: ZTZFSHDDBVZSFU-VTEHSETASA-N
• XLogP: 15.64
• TPSA: 736.59 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 45
• Rotatable Bonds: 51
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.39
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide?

The IUPAC name of (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide (CID 167710615) is (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide.

What is the SMILES notation for (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide?

The canonical SMILES for (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide is CCC(O)CNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.CCC(O)CNS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)o1.CN1CCN(c2ccc3cc(-c4ccc(/C=C(\C#N)C(=O)NCC(O)CO)o4)ccc3c2)CC1.CN1CCN(c2ccc3cc(-c4ccc(/C=C(\C#N)S(=O)(=O)NCC(O)CO)o4)ccc3c2)CC1.N#C/C(=C\c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1)C(=O)NCC(O)CO.N#C/C(=C\c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)o1)S(=O)(=O)NCC(O)CO.

What is the InChIKey of (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide?

The InChIKey is ZTZFSHDDBVZSFU-VTEHSETASA-N. The full InChI is InChI=1S/C28H32N4O4.C27H32N4O5S.C26H28N4O4.C25H28N4O5S.C25H25N3O5.C24H25N3O6S/c1-2-25(33)19-31-28(34)23(18-29)17-26-7-8-27(36-26)22-4-3-21-16-24(6-5-20(21)15-22)30-9-10-32-11-13-35-14-12-32;1-2-24(32)19-30-37(33,34)26(18-28)17-25-7-8-27(36-25)22-4-3-21-16-23(6-5-20(21)15-22)29-9-10-31-11-13-35-14-12-31;1-29-8-10-30(11-9-29)22-5-4-18-12-20(3-2-19(18)13-22)25-7-6-24(34-25)14-21(15-27)26(33)28-16-23(32)17-31;1-28-8-10-29(11-9-28)21-5-4-18-12-20(3-2-19(18)13-21)25-7-6-23(34-25)14-24(15-26)35(32,33)27-16-22(31)17-30;26-14-20(25(31)27-15-22(30)16-29)13-23-5-6-24(33-23)19-2-1-18-12-21(4-3-17(18)11-19)28-7-9-32-10-8-28;25-14-23(34(30,31)26-15-21(29)16-28)13-22-5-6-24(33-22)19-2-1-18-12-20(4-3-17(18)11-19)27-7-9-32-10-8-27/h3-8,15-17,25,30,33H,2,9-14,19H2,1H3,(H,31,34);3-8,15-17,24,29-30,32H,2,9-14,19H2,1H3;2-7,12-14,23,31-32H,8-11,16-17H2,1H3,(H,28,33);2-7,12-14,22,27,30-31H,8-11,16-17H2,1H3;1-6,11-13,22,29-30H,7-10,15-16H2,(H,27,31);1-6,11-13,21,26,28-29H,7-10,15-16H2/b23-17+;26-17+;21-14+;24-14+;20-13+;23-13+.

What are the key properties of (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide?

(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide has a molecular weight of 2901.39 g/mol, XLogP of 15.64, 51 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 167710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).