2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone

C26H25N3O2S — CID 55810157

IUPAC2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H25N3O2S/c30-25(16-21-17-27-24-8-4-3-7-23(21)24)28-11-13-29(14-12-28)26(31)18-32-22-10-9-19-5-1-2-6-20(19)15-22/h1-10,15,17,27H,11-14,16,18H2
InChIKeyTUBCSWQWDFBJJB-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.33
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone (PubChem CID 55810157) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
PubChem CID55810157
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H25N3O2S/c30-25(16-21-17-27-24-8-4-3-7-23(21)24)28-11-13-29(14-12-28)26(31)18-32-22-10-9-19-5-1-2-6-20(19)15-22/h1-10,15,17,27H,11-14,16,18H2
InChIKeyTUBCSWQWDFBJJB-UHFFFAOYSA-N
XLogP4.33
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810532
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)ethanone
CID 99791369
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810311
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(1H-indol-3-yl)-1-[4-[2-(3-propan-2-ylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810032
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
1-[2-(1H-indol-3-yl)acetyl]-4-phenyl-1,4-diazepan-5-one
CID 110867163
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone (CID 55810157) is 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone is O=C(CSc1ccc2ccccc2c1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The InChIKey is TUBCSWQWDFBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c30-25(16-21-17-27-24-8-4-3-7-23(21)24)28-11-13-29(14-12-28)26(31)18-32-22-10-9-19-5-1-2-6-20(19)15-22/h1-10,15,17,27H,11-14,16,18H2.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone has a molecular weight of 443.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55810157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).