(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone

C20H24N2O3S — CID 110294263

IUPAC(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-6-5-9-18(14-16)20(23)21-10-12-22(13-11-21)26(24,25)15-19-8-4-3-7-17(19)2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyBWKWDHYSIIEHBC-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.59
Rot. Bonds4

About (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone

(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (PubChem CID 110294263) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
PubChem CID110294263
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-6-5-9-18(14-16)20(23)21-10-12-22(13-11-21)26(24,25)15-19-8-4-3-7-17(19)2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyBWKWDHYSIIEHBC-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-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110798877
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 110798205
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365452
(3-methylphenyl)-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110798274
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110646744
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
methyl 4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate
CID 110799061
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365412
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (CID 110294263) is (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The InChIKey is BWKWDHYSIIEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-6-5-9-18(14-16)20(23)21-10-12-22(13-11-21)26(24,25)15-19-8-4-3-7-17(19)2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
(3-methylphenyl)-[4-[(2-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 (3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110294263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).