[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

C19H22N2OS — CID 827132

IUPAC[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Sc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H22N2OS/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3
InChIKeyWMUVQWLPJIFRAV-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.53
Rot. Bonds3

About [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 827132) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID827132
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Sc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H22N2OS/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3
InChIKeyWMUVQWLPJIFRAV-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone (CID 827132) is [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(Sc2ccccc2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WMUVQWLPJIFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 326.47 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 827132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).