1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one

C16H18N2O4S2 — CID 56909651

IUPAC1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccsc3)C(C)C2=O)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-16(19)17(13-3-5-14(22-2)6-4-13)8-9-18(12)24(20,21)15-7-10-23-11-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeySSCLLDPTPGVIGR-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one

1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one (PubChem CID 56909651) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one
PubChem CID56909651
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccsc3)C(C)C2=O)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-16(19)17(13-3-5-14(22-2)6-4-13)8-9-18(12)24(20,21)15-7-10-23-11-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeySSCLLDPTPGVIGR-UHFFFAOYSA-N
XLogP2.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 42847493
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
4-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 42847475
4-(4-chlorophenyl)sulfonyl-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 46036625
(4S)-5-(4-methoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 38259146
4-(benzenesulfonyl)-1-(3-fluoro-4-methylphenyl)-3-methylpiperazin-2-one
CID 46036662
1-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 46036694
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3S)-1-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 93114817
1-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 42847502

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one (CID 56909651) is 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one is COc1ccc(N2CCN(S(=O)(=O)c3ccsc3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one?
The InChIKey is SSCLLDPTPGVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-16(19)17(13-3-5-14(22-2)6-4-13)8-9-18(12)24(20,21)15-7-10-23-11-15/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one?
1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-thiophen-3-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 56909651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).