1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C24H24FN3O3S — CID 55810311

IUPAC1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCC(=O)c1ccc(SCC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H24FN3O3S/c1-16(29)17-6-7-22(20(25)12-17)32-15-24(31)28-10-8-27(9-11-28)23(30)13-18-14-26-21-5-3-2-4-19(18)21/h2-7,12,14,26H,8-11,13,15H2,1H3
InChIKeyQUCMNOATMBMMHZ-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 55810311) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID55810311
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCC(=O)c1ccc(SCC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H24FN3O3S/c1-16(29)17-6-7-22(20(25)12-17)32-15-24(31)28-10-8-27(9-11-28)23(30)13-18-14-26-21-5-3-2-4-19(18)21/h2-7,12,14,26H,8-11,13,15H2,1H3
InChIKeyQUCMNOATMBMMHZ-UHFFFAOYSA-N
XLogP3.52
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 55810157
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(4-acetyl-2-fluorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 34146752
1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810532
1-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110746201
2-(1H-indol-3-yl)-1-[4-[2-(3-propan-2-ylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810032
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 55810311) is 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is CC(=O)c1ccc(SCC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1.
What is the InChIKey of 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is QUCMNOATMBMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16(29)17-6-7-22(20(25)12-17)32-15-24(31)28-10-8-27(9-11-28)23(30)13-18-14-26-21-5-3-2-4-19(18)21/h2-7,12,14,26H,8-11,13,15H2,1H3.
What are the key properties of 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 453.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 55810311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).