1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

C24H34N2O3S — CID 91669807

IUPAC1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C24H34N2O3S/c1-16(2)21-15-23(22(29-7)14-18(21)4)30(27,28)26-10-8-25(9-11-26)24-19(5)12-17(3)13-20(24)6/h12-16H,8-11H2,1-7H3
InChIKeyDGQRORJZGBBAEH-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.56
Rot. Bonds5

About 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 91669807) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID91669807
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C24H34N2O3S/c1-16(2)21-15-23(22(29-7)14-18(21)4)30(27,28)26-10-8-25(9-11-26)24-19(5)12-17(3)13-20(24)6/h12-16H,8-11H2,1-7H3
InChIKeyDGQRORJZGBBAEH-UHFFFAOYSA-N
XLogP4.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (CID 91669807) is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is DGQRORJZGBBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-16(2)21-15-23(22(29-7)14-18(21)4)30(27,28)26-10-8-25(9-11-26)24-19(5)12-17(3)13-20(24)6/h12-16H,8-11H2,1-7H3.
What are the key properties of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 430.61 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 91669807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).