1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine

C20H26N2O3S — CID 34117918

IUPAC1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-17-6-8-18(9-7-17)21-11-13-22(14-12-21)26(23,24)20-15-16(2)5-10-19(20)25-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyZJHIVWVNBYBANQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine

1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine (PubChem CID 34117918) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
PubChem CID34117918
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-17-6-8-18(9-7-17)21-11-13-22(14-12-21)26(23,24)20-15-16(2)5-10-19(20)25-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyZJHIVWVNBYBANQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine 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-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
2-hydroxy-5-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 4742000
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine (CID 34117918) is 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine is CCc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The InChIKey is ZJHIVWVNBYBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-17-6-8-18(9-7-17)21-11-13-22(14-12-21)26(23,24)20-15-16(2)5-10-19(20)25-3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 34117918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).