2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C19H22N2O2S — CID 2810018

IUPAC2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cccc(SCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyJAEMURDWWXGVDC-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.14
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2810018) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2810018
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1cccc(SCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyJAEMURDWWXGVDC-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 2810018) is 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is COc1cccc(SCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is JAEMURDWWXGVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-17-8-5-9-18(14-17)24-15-19(22)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 342.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2810018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).