1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine

C28H42N2O6S2 — CID 71671530

IUPAC1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OCC)CC1
InChIInChI=1S/C28H42N2O6S2/c1-9-35-25-15-21(7)23(19(3)4)17-27(25)37(31,32)29-11-13-30(14-12-29)38(33,34)28-18-24(20(5)6)22(8)16-26(28)36-10-2/h15-20H,9-14H2,1-8H3
InChIKeyDXENAJMCDIDVKV-UHFFFAOYSA-N
MW566.79 g/mol
LogP5.04
Rot. Bonds10

About 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine

1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine (PubChem CID 71671530) has the molecular formula C28H42N2O6S2 and a molecular weight of 566.79 g/mol. Its IUPAC name is 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
PubChem CID71671530
Molecular FormulaC28H42N2O6S2
Molecular Weight566.79 g/mol
Exact Mass566.25
IUPAC Name1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OCC)CC1
InChIInChI=1S/C28H42N2O6S2/c1-9-35-25-15-21(7)23(19(3)4)17-27(25)37(31,32)29-11-13-30(14-12-29)38(33,34)28-18-24(20(5)6)22(8)16-26(28)36-10-2/h15-20H,9-14H2,1-8H3
InChIKeyDXENAJMCDIDVKV-UHFFFAOYSA-N
XLogP5.04
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.79
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
CID 146095918
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole
CID 16805046
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 5298031
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 71671322
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine (CID 71671530) is 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OCC)CC1.
What is the InChIKey of 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine?
The InChIKey is DXENAJMCDIDVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O6S2/c1-9-35-25-15-21(7)23(19(3)4)17-27(25)37(31,32)29-11-13-30(14-12-29)38(33,34)28-18-24(20(5)6)22(8)16-26(28)36-10-2/h15-20H,9-14H2,1-8H3.
What are the key properties of 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine?
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine has a molecular weight of 566.79 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine is sourced from PubChem (CID 71671530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).