2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C20H19FN2O2S — CID 51142957

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2c[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C20H19FN2O2S/c1-13(24)14-6-7-19(17(21)10-14)26-12-20(25)22-9-8-15-11-23-18-5-3-2-4-16(15)18/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,25)
InChIKeyKZYRFLKWXNEDNB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 51142957) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID51142957
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2c[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C20H19FN2O2S/c1-13(24)14-6-7-19(17(21)10-14)26-12-20(25)22-9-8-15-11-23-18-5-3-2-4-16(15)18/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,25)
InChIKeyKZYRFLKWXNEDNB-UHFFFAOYSA-N
XLogP3.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810311
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 84553422
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455
methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4125256
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 51142957) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)c1ccc(SCC(=O)NCCc2c[nH]c3ccccc23)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KZYRFLKWXNEDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(24)14-6-7-19(17(21)10-14)26-12-20(25)22-9-8-15-11-23-18-5-3-2-4-16(15)18/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,25).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 51142957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).