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

C24H32N4O4S — CID 3063186

IUPAC[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(S(C)=O)c(NC(N)=O)c2)CC1
InChIInChI=1S/C24H32N4O4S/c1-32-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(33(2)31)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)
InChIKeyKCCIQZUPIIOLMB-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.10
Rot. Bonds10

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

[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea (PubChem CID 3063186) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea.

Molecular Properties

Compound Name[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
PubChem CID3063186
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccc(S(C)=O)c(NC(N)=O)c2)CC1
InChIInChI=1S/C24H32N4O4S/c1-32-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(33(2)31)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)
InChIKeyKCCIQZUPIIOLMB-UHFFFAOYSA-N
XLogP3.10
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea 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-methylsulfanylbenzenesulfonamide
CID 3063182
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea
CID 57123647
[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-1-yl]urea
CID 87747471
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'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-2-yl]urea
CID 87747847

Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea?
The IUPAC name of [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea (CID 3063186) is [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea.
What is the SMILES notation for [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea?
The canonical SMILES for [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea is COc1ccccc1N1CCN(CCCCC(=O)c2ccc(S(C)=O)c(NC(N)=O)c2)CC1.
What is the InChIKey of [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea?
The InChIKey is KCCIQZUPIIOLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-32-22-9-4-3-7-20(22)28-15-13-27(14-16-28)12-6-5-8-21(29)18-10-11-23(33(2)31)19(17-18)26-24(25)30/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30).
What are the key properties of [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea?
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea has a molecular weight of 472.61 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea is sourced from PubChem (CID 3063186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).