1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone

C79H71N9O11S5 — CID 160990442

About 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone

1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone (PubChem CID 160990442) has the molecular formula C79H71N9O11S5 and a molecular weight of 1482.82 g/mol. Its IUPAC name is 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone
• PubChem CID: 160990442
• Molecular Formula: C79H71N9O11S5
• Molecular Weight: 1482.82 g/mol
• Exact Mass: 1481.39
• IUPAC Name: 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone
• SMILES: CC(=O)CCCc1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(Sc2nc3ccccc3n2C)o1.CN(C)Cc1ccc(SC2=Nc3ccccc3C2)o1.CN1C(=O)C(=Cc2ccc(SC3=Nc4ccccc4C3)o2)C(=O)N(C)C1=O
• InChI: InChI=1S/C19H15N3O4S.C17H17NO2S.C15H16N2OS.C14H12N2O2S.C14H11NO2S/c1-21-17(23)13(18(24)22(2)19(21)25)10-12-7-8-16(26-12)27-15-9-11-5-3-4-6-14(11)20-15;1-12(19)5-4-7-14-9-10-17(20-14)21-16-11-13-6-2-3-8-15(13)18-16;1-17(2)10-12-7-8-15(18-12)19-14-9-11-5-3-4-6-13(11)16-14;1-9(17)12-7-8-13(18-12)19-14-15-10-5-3-4-6-11(10)16(14)2;1-9(16)12-6-7-14(17-12)18-13-8-10-4-2-3-5-11(10)15-13/h3-8,10H,9H2,1-2H3;2-3,6,8-10H,4-5,7,11H2,1H3;3-8H,9-10H2,1-2H3;3-8H,1-2H3;2-7H,8H2,1H3
• InChIKey: TUNZJJHPXKNBRG-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 245.10 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.82
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone?

The IUPAC name of 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone (CID 160990442) is 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone.

What is the SMILES notation for 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone?

The canonical SMILES for 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone is CC(=O)CCCc1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(Sc2nc3ccccc3n2C)o1.CN(C)Cc1ccc(SC2=Nc3ccccc3C2)o1.CN1C(=O)C(=Cc2ccc(SC3=Nc4ccccc4C3)o2)C(=O)N(C)C1=O.

What is the InChIKey of 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone?

The InChIKey is TUNZJJHPXKNBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S.C17H17NO2S.C15H16N2OS.C14H12N2O2S.C14H11NO2S/c1-21-17(23)13(18(24)22(2)19(21)25)10-12-7-8-16(26-12)27-15-9-11-5-3-4-6-14(11)20-15;1-12(19)5-4-7-14-9-10-17(20-14)21-16-11-13-6-2-3-8-15(13)18-16;1-17(2)10-12-7-8-15(18-12)19-14-9-11-5-3-4-6-13(11)16-14;1-9(17)12-7-8-13(18-12)19-14-15-10-5-3-4-6-11(10)16(14)2;1-9(16)12-6-7-14(17-12)18-13-8-10-4-2-3-5-11(10)15-13/h3-8,10H,9H2,1-2H3;2-3,6,8-10H,4-5,7,11H2,1H3;3-8H,9-10H2,1-2H3;3-8H,1-2H3;2-7H,8H2,1H3.

What are the key properties of 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone?

1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone has a molecular weight of 1482.82 g/mol, XLogP of 18.76, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone is sourced from PubChem (CID 160990442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).