4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one

C19H22N2O5S — CID 42847493

IUPAC4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-14-19(22)20(17-10-9-15(25-2)13-18(17)26-3)11-12-21(14)27(23,24)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyHHFUDFNFUXDLND-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.13
Rot. Bonds5

About 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one

4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 42847493) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
PubChem CID42847493
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-14-19(22)20(17-10-9-15(25-2)13-18(17)26-3)11-12-21(14)27(23,24)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyHHFUDFNFUXDLND-UHFFFAOYSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one
CID 46036630
(3S)-4-(benzenesulfonyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93290919
(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one
CID 92626691
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
1-(2-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 42682818
1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one
CID 56909651
(2R)-1,4-bis(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 94860774
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323635
N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46036574
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one (CID 42847493) is 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one is COc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)c(OC)c1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is HHFUDFNFUXDLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-19(22)20(17-10-9-15(25-2)13-18(17)26-3)11-12-21(14)27(23,24)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 390.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 42847493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).