(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C122H106ClN11O15S8 — CID 158797783

About (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 158797783) has the molecular formula C122H106ClN11O15S8 and a molecular weight of 2258.24 g/mol. Its IUPAC name is (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
• PubChem CID: 158797783
• Molecular Formula: C122H106ClN11O15S8
• Molecular Weight: 2258.24 g/mol
• Exact Mass: 2255.53
• IUPAC Name: (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
• SMILES: CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(C)CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(C)N1C(=O)N/C(=C\c2ccc(SC3=Nc4ccc(Cl)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2cccc(SC3=Nc4ccccc4C3)c2)C1=O.CCc1ccc(SC2=Nc3ccccc3C2)o1.O=C(Cc1ccccc1)c1ccc(SC2=Nc3ccccc3C2)o1.O=C(c1ccc(SC2=Nc3ccccc3C2)o1)N1CCOCC1
• InChI: InChI=1S/C21H18N2O2S2.C20H15NO2S.C19H16ClN3O3S.C17H16N2O3S.C17H17NO2S.C14H11NO2S.C14H13NOS/c1-13(2)23-20(24)18(27-21(23)25)11-14-6-5-8-16(10-14)26-19-12-15-7-3-4-9-17(15)22-19;22-17(12-14-6-2-1-3-7-14)18-10-11-20(23-18)24-19-13-15-8-4-5-9-16(15)21-19;1-10(2)23-18(24)15(22-19(23)25)9-13-4-6-17(26-13)27-16-8-11-7-12(20)3-5-14(11)21-16;20-17(19-7-9-21-10-8-19)14-5-6-16(22-14)23-15-11-12-3-1-2-4-13(12)18-15;1-11(2)9-14(19)15-7-8-17(20-15)21-16-10-12-5-3-4-6-13(12)18-16;1-9(16)12-6-7-14(17-12)18-13-8-10-4-2-3-5-11(10)15-13;1-2-11-7-8-14(16-11)17-13-9-10-5-3-4-6-12(10)15-13/h3-11,13H,12H2,1-2H3;1-11H,12-13H2;3-7,9-10H,8H2,1-2H3,(H,22,25);1-6H,7-11H2;3-8,11H,9-10H2,1-2H3;2-7H,8H2,1H3;3-8H,2,9H2,1H3/b18-11-;;15-9-
• InChIKey: ITBRLTRPDAICJQ-NGUNDYDQSA-N
• XLogP: 31.30
• TPSA: 332.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.24
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 158797783) is (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(C)CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(C)N1C(=O)N/C(=C\c2ccc(SC3=Nc4ccc(Cl)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2cccc(SC3=Nc4ccccc4C3)c2)C1=O.CCc1ccc(SC2=Nc3ccccc3C2)o1.O=C(Cc1ccccc1)c1ccc(SC2=Nc3ccccc3C2)o1.O=C(c1ccc(SC2=Nc3ccccc3C2)o1)N1CCOCC1.

What is the InChIKey of (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The InChIKey is ITBRLTRPDAICJQ-NGUNDYDQSA-N. The full InChI is InChI=1S/C21H18N2O2S2.C20H15NO2S.C19H16ClN3O3S.C17H16N2O3S.C17H17NO2S.C14H11NO2S.C14H13NOS/c1-13(2)23-20(24)18(27-21(23)25)11-14-6-5-8-16(10-14)26-19-12-15-7-3-4-9-17(15)22-19;22-17(12-14-6-2-1-3-7-14)18-10-11-20(23-18)24-19-13-15-8-4-5-9-16(15)21-19;1-10(2)23-18(24)15(22-19(23)25)9-13-4-6-17(26-13)27-16-8-11-7-12(20)3-5-14(11)21-16;20-17(19-7-9-21-10-8-19)14-5-6-16(22-14)23-15-11-12-3-1-2-4-13(12)18-15;1-11(2)9-14(19)15-7-8-17(20-15)21-16-10-12-5-3-4-6-13(12)18-16;1-9(16)12-6-7-14(17-12)18-13-8-10-4-2-3-5-11(10)15-13;1-2-11-7-8-14(16-11)17-13-9-10-5-3-4-6-12(10)15-13/h3-11,13H,12H2,1-2H3;1-11H,12-13H2;3-7,9-10H,8H2,1-2H3,(H,22,25);1-6H,7-11H2;3-8,11H,9-10H2,1-2H3;2-7H,8H2,1H3;3-8H,2,9H2,1H3/b18-11-;;15-9-;;;;.

What are the key properties of (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 2258.24 g/mol, XLogP of 31.30, 20 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione;2-(5-ethylfuran-2-yl)sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-3-methylbutan-1-one;[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-morpholin-4-ylmethanone;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-2-phenylethanone;(5Z)-5-[[3-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158797783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).