4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one

C19H22N2O4S — CID 110420094

IUPAC4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)18-19(22)20-10-11-21(18)26(23,24)17-9-8-16(25-3)12-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,20,22)
InChIKeyVUDMWSLVXLEVFY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.17
Rot. Bonds4

About 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one

4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one (PubChem CID 110420094) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
PubChem CID110420094
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)18-19(22)20-10-11-21(18)26(23,24)17-9-8-16(25-3)12-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,20,22)
InChIKeyVUDMWSLVXLEVFY-UHFFFAOYSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
CID 110644975
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
CID 110656903
4-(4-methoxy-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708016
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
CID 110708313
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
CID 110663893
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one (CID 110420094) is 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one is COc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C)cc2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one?
The InChIKey is VUDMWSLVXLEVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)18-19(22)20-10-11-21(18)26(23,24)17-9-8-16(25-3)12-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one?
4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one has a molecular weight of 374.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110420094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).