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

C21H23N3OS — CID 5128077

IUPAC2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3OS/c1-22-15-20(18-9-5-6-10-19(18)22)26-16-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3
InChIKeyUWICPNUYLJPKJF-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.62
Rot. Bonds4

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

2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 5128077) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID5128077
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3OS/c1-22-15-20(18-9-5-6-10-19(18)22)26-16-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3
InChIKeyUWICPNUYLJPKJF-UHFFFAOYSA-N
XLogP3.62
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 5128077) is 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is Cn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is UWICPNUYLJPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-22-15-20(18-9-5-6-10-19(18)22)26-16-21(25)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 365.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5128077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).