oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone

C20H30N2O4S — CID 3825324

IUPACoxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-2-3-4-6-17-8-10-18(11-9-17)27(24,25)22-14-12-21(13-15-22)20(23)19-7-5-16-26-19/h8-11,19H,2-7,12-16H2,1H3
InChIKeyBLVBZTXEUZHERA-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.43
Rot. Bonds7

About oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone

oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 3825324) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID3825324
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Nameoxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-2-3-4-6-17-8-10-18(11-9-17)27(24,25)22-14-12-21(13-15-22)20(23)19-7-5-16-26-19/h8-11,19H,2-7,12-16H2,1H3
InChIKeyBLVBZTXEUZHERA-UHFFFAOYSA-N
XLogP2.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
N,N-dimethyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 16278252
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
CID 2374147
1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
{4-[(4-Butylphenyl)sulfonyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
CID 6465848
[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717281
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
1-[(4-methylphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2955285
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 3155150
3-(4-Propylsulfamoyl-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 653232
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2950846

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone (CID 3825324) is oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone is CCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BLVBZTXEUZHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-2-3-4-6-17-8-10-18(11-9-17)27(24,25)22-14-12-21(13-15-22)20(23)19-7-5-16-26-19/h8-11,19H,2-7,12-16H2,1H3.
What are the key properties of oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone?
oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 3825324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).