1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine

C25H36N2O4S — CID 146095918

IUPAC1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
SMILESCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C25H36N2O4S/c1-6-16-31-24-17-20(5)21(19(3)4)18-25(24)32(28,29)27-14-12-26(13-15-27)22-10-8-9-11-23(22)30-7-2/h8-11,17-19H,6-7,12-16H2,1-5H3
InChIKeyLAHVEHQNXFUEKU-UHFFFAOYSA-N
MW460.64 g/mol
LogP4.82
Rot. Bonds9

About 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine

1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine (PubChem CID 146095918) has the molecular formula C25H36N2O4S and a molecular weight of 460.64 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
PubChem CID146095918
Molecular FormulaC25H36N2O4S
Molecular Weight460.64 g/mol
Exact Mass460.24
IUPAC Name1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
SMILESCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C25H36N2O4S/c1-6-16-31-24-17-20(5)21(19(3)4)18-25(24)32(28,29)27-14-12-26(13-15-27)22-10-8-9-11-23(22)30-7-2/h8-11,17-19H,6-7,12-16H2,1-5H3
InChIKeyLAHVEHQNXFUEKU-UHFFFAOYSA-N
XLogP4.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 5298031
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 91669913
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine (CID 146095918) is 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine is CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine?
The InChIKey is LAHVEHQNXFUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4S/c1-6-16-31-24-17-20(5)21(19(3)4)18-25(24)32(28,29)27-14-12-26(13-15-27)22-10-8-9-11-23(22)30-7-2/h8-11,17-19H,6-7,12-16H2,1-5H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine?
1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine has a molecular weight of 460.64 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 146095918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).