(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone

C20H24N2O3S — CID 110365452

IUPAC(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-6-8-19(9-7-16)20(23)21-10-12-22(13-11-21)26(24,25)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyYYSFODUSJXAWRA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.59
Rot. Bonds4

About (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone

(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (PubChem CID 110365452) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
PubChem CID110365452
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-6-8-19(9-7-16)20(23)21-10-12-22(13-11-21)26(24,25)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyYYSFODUSJXAWRA-UHFFFAOYSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 110798205
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
(3,4-dimethylphenyl)-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365094
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 110818901
cyclopropyl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110797103
(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110294263
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805309
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (CID 110365452) is (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The InChIKey is YYSFODUSJXAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-6-8-19(9-7-16)20(23)21-10-12-22(13-11-21)26(24,25)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110365452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).