5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide

C23H31N3O4S2 — CID 3063182

IUPAC5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(SC)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-30-21-9-4-3-7-19(21)26-15-13-25(14-16-26)12-6-5-8-20(27)18-10-11-22(31-2)23(17-18)32(24,28)29/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H2,24,28,29)
InChIKeyRNMZMYMLULKNDY-UHFFFAOYSA-N
MW477.65 g/mol
LogP3.24
Rot. Bonds10

About 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide

5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide (PubChem CID 3063182) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
PubChem CID3063182
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC Name5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(SC)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-30-21-9-4-3-7-19(21)26-15-13-25(14-16-26)12-6-5-8-20(27)18-10-11-22(31-2)23(17-18)32(24,28)29/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H2,24,28,29)
InChIKeyRNMZMYMLULKNDY-UHFFFAOYSA-N
XLogP3.24
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
CID 3063186
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 5124035
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
CID 143764643
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
CID 68626819
(E)-but-2-enedioic acid;ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
CID 13302197
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide (CID 3063182) is 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide is COc1ccccc1N1CCN(CCCCC(=O)c2ccc(SC)c(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide?
The InChIKey is RNMZMYMLULKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-30-21-9-4-3-7-19(21)26-15-13-25(14-16-26)12-6-5-8-20(27)18-10-11-22(31-2)23(17-18)32(24,28)29/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H2,24,28,29).
What are the key properties of 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide?
5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide has a molecular weight of 477.65 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 3063182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).