2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole

C133H133N13O12S8 — CID 158080923

IUPAC2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole
SMILESCC(=O)CCCc1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(Sc2nc3ccccc3n2C)o1.CC(C)CCc1ccc(SC2=Nc3ccccc3C2)o1.CCN1CCN(Cc2ccc(SC3=Nc4ccccc4C3)o2)CC1.CN(C)Cc1ccc(SC2=Nc3ccccc3C2)o1.c1ccc(CCc2ccc(SC3=Nc4ccccc4C3)o2)cc1.c1ccc2c(c1)CC(Sc1ccc(CN3CCOCC3)o1)=N2
InChIInChI=1S/C20H17NOS.C19H23N3OS.C17H18N2O2S.C17H17NO2S.C17H19NOS.C15H16N2OS.C14H12N2O2S.C14H11NO2S/c1-2-6-15(7-3-1)10-11-17-12-13-20(22-17)23-19-14-16-8-4-5-9-18(16)21-19;1-2-21-9-11-22(12-10-21)14-16-7-8-19(23-16)24-18-13-15-5-3-4-6-17(15)20-18;1-2-4-15-13(3-1)11-16(18-15)22-17-6-5-14(21-17)12-19-7-9-20-10-8-19;1-12(19)5-4-7-14-9-10-17(20-14)21-16-11-13-6-2-3-8-15(13)18-16;1-12(2)7-8-14-9-10-17(19-14)20-16-11-13-5-3-4-6-15(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/h1-9,12-13H,10-11,14H2;3-8H,2,9-14H2,1H3;1-6H,7-12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-6,9-10,12H,7-8,11H2,1-2H3;3-8H,9-10H2,1-2H3;3-8H,1-2H3;2-7H,8H2,1H3
InChIKeyFMYFVFMOLRTRCQ-UHFFFAOYSA-N
MW2362.14 g/mol
LogP33.65
Rot. Bonds28

About 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole

2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole (PubChem CID 158080923) has the molecular formula C133H133N13O12S8 and a molecular weight of 2362.14 g/mol. Its IUPAC name is 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole.

Molecular Properties

Compound Name2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole
PubChem CID158080923
Molecular FormulaC133H133N13O12S8
Molecular Weight2362.14 g/mol
Exact Mass2359.80
IUPAC Name2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole
SMILESCC(=O)CCCc1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(Sc2nc3ccccc3n2C)o1.CC(C)CCc1ccc(SC2=Nc3ccccc3C2)o1.CCN1CCN(Cc2ccc(SC3=Nc4ccccc4C3)o2)CC1.CN(C)Cc1ccc(SC2=Nc3ccccc3C2)o1.c1ccc(CCc2ccc(SC3=Nc4ccccc4C3)o2)cc1.c1ccc2c(c1)CC(Sc1ccc(CN3CCOCC3)o1)=N2
InChIInChI=1S/C20H17NOS.C19H23N3OS.C17H18N2O2S.C17H17NO2S.C17H19NOS.C15H16N2OS.C14H12N2O2S.C14H11NO2S/c1-2-6-15(7-3-1)10-11-17-12-13-20(22-17)23-19-14-16-8-4-5-9-18(16)21-19;1-2-21-9-11-22(12-10-21)14-16-7-8-19(23-16)24-18-13-15-5-3-4-6-17(15)20-18;1-2-4-15-13(3-1)11-16(18-15)22-17-6-5-14(21-17)12-19-7-9-20-10-8-19;1-12(19)5-4-7-14-9-10-17(20-14)21-16-11-13-6-2-3-8-15(13)18-16;1-12(2)7-8-14-9-10-17(19-14)20-16-11-13-5-3-4-6-15(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/h1-9,12-13H,10-11,14H2;3-8H,2,9-14H2,1H3;1-6H,7-12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-6,9-10,12H,7-8,11H2,1-2H3;3-8H,9-10H2,1-2H3;3-8H,1-2H3;2-7H,8H2,1H3
InChIKeyFMYFVFMOLRTRCQ-UHFFFAOYSA-N
XLogP33.65
TPSA282.86 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002362.14
LogP ≤ 533.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole?
The IUPAC name of 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole (CID 158080923) is 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole.
What is the SMILES notation for 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole?
The canonical SMILES for 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole is CC(=O)CCCc1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(SC2=Nc3ccccc3C2)o1.CC(=O)c1ccc(Sc2nc3ccccc3n2C)o1.CC(C)CCc1ccc(SC2=Nc3ccccc3C2)o1.CCN1CCN(Cc2ccc(SC3=Nc4ccccc4C3)o2)CC1.CN(C)Cc1ccc(SC2=Nc3ccccc3C2)o1.c1ccc(CCc2ccc(SC3=Nc4ccccc4C3)o2)cc1.c1ccc2c(c1)CC(Sc1ccc(CN3CCOCC3)o1)=N2.
What is the InChIKey of 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole?
The InChIKey is FMYFVFMOLRTRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS.C19H23N3OS.C17H18N2O2S.C17H17NO2S.C17H19NOS.C15H16N2OS.C14H12N2O2S.C14H11NO2S/c1-2-6-15(7-3-1)10-11-17-12-13-20(22-17)23-19-14-16-8-4-5-9-18(16)21-19;1-2-21-9-11-22(12-10-21)14-16-7-8-19(23-16)24-18-13-15-5-3-4-6-17(15)20-18;1-2-4-15-13(3-1)11-16(18-15)22-17-6-5-14(21-17)12-19-7-9-20-10-8-19;1-12(19)5-4-7-14-9-10-17(20-14)21-16-11-13-6-2-3-8-15(13)18-16;1-12(2)7-8-14-9-10-17(19-14)20-16-11-13-5-3-4-6-15(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/h1-9,12-13H,10-11,14H2;3-8H,2,9-14H2,1H3;1-6H,7-12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-6,9-10,12H,7-8,11H2,1-2H3;3-8H,9-10H2,1-2H3;3-8H,1-2H3;2-7H,8H2,1H3.
What are the key properties of 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole?
2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole has a molecular weight of 2362.14 g/mol, XLogP of 33.65, 28 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]sulfanyl-3H-indole;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]-N,N-dimethylmethanamine;1-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]ethanone;4-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]morpholine;5-[5-(3H-indol-2-ylsulfanyl)furan-2-yl]pentan-2-one;1-[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]ethanone;2-[5-(3-methylbutyl)furan-2-yl]sulfanyl-3H-indole;2-[5-(2-phenylethyl)furan-2-yl]sulfanyl-3H-indole is sourced from PubChem (CID 158080923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).