[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone

C32H36N4O6S2Si — CID 22710712

IUPAC[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone
SMILESCN1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(C#C[Si](C)(C)C)ccc5n4S(=O)(=O)c4ccccc4)CC3)oc2C1
InChIInChI=1S/C32H36N4O6S2Si/c1-33-14-12-25-21-29(42-30(25)23-33)32(37)34-15-17-35(18-16-34)44(40,41)31-22-26-20-24(13-19-45(2,3)4)10-11-28(26)36(31)43(38,39)27-8-6-5-7-9-27/h5-11,20-22H,12,14-18,23H2,1-4H3
InChIKeyUNDMAGGEYJDORY-UHFFFAOYSA-N
MW664.88 g/mol
LogP3.83
Rot. Bonds5

About [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone

[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone (PubChem CID 22710712) has the molecular formula C32H36N4O6S2Si and a molecular weight of 664.88 g/mol. Its IUPAC name is [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone
PubChem CID22710712
Molecular FormulaC32H36N4O6S2Si
Molecular Weight664.88 g/mol
Exact Mass664.18
IUPAC Name[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone
SMILESCN1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(C#C[Si](C)(C)C)ccc5n4S(=O)(=O)c4ccccc4)CC3)oc2C1
InChIInChI=1S/C32H36N4O6S2Si/c1-33-14-12-25-21-29(42-30(25)23-33)32(37)34-15-17-35(18-16-34)44(40,41)31-22-26-20-24(13-19-45(2,3)4)10-11-28(26)36(31)43(38,39)27-8-6-5-7-9-27/h5-11,20-22H,12,14-18,23H2,1-4H3
InChIKeyUNDMAGGEYJDORY-UHFFFAOYSA-N
XLogP3.83
TPSA113.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22710954
3-[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-2-yl]propanenitrile
CID 139897227
4-[4-(2-trimethylsilylethynyl)phenyl]sulfonylpiperazine-1-carboxylic acid
CID 67303285
lithium;hydride;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxylic acid
CID 173173809
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
1-benzofuran-2-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641275
tert-butyl 4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylate
CID 22710203
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone
CID 139897169
[1-(benzenesulfonyl)-5-phenylindol-2-yl]-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 44533212
[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone?
The IUPAC name of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone (CID 22710712) is [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone is CN1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(C#C[Si](C)(C)C)ccc5n4S(=O)(=O)c4ccccc4)CC3)oc2C1.
What is the InChIKey of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone?
The InChIKey is UNDMAGGEYJDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6S2Si/c1-33-14-12-25-21-29(42-30(25)23-33)32(37)34-15-17-35(18-16-34)44(40,41)31-22-26-20-24(13-19-45(2,3)4)10-11-28(26)36(31)43(38,39)27-8-6-5-7-9-27/h5-11,20-22H,12,14-18,23H2,1-4H3.
What are the key properties of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone?
[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone has a molecular weight of 664.88 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone is sourced from PubChem (CID 22710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).