1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole

C15H20N2O3S — CID 16805046

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C15H20N2O3S/c1-5-20-14-8-12(4)13(11(2)3)9-15(14)21(18,19)17-7-6-16-10-17/h6-11H,5H2,1-4H3
InChIKeyNMJLDXZRRCQUET-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole (PubChem CID 16805046) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole
PubChem CID16805046
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C15H20N2O3S/c1-5-20-14-8-12(4)13(11(2)3)9-15(14)21(18,19)17-7-6-16-10-17/h6-11H,5H2,1-4H3
InChIKeyNMJLDXZRRCQUET-UHFFFAOYSA-N
XLogP2.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole (CID 16805046) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole?
The InChIKey is NMJLDXZRRCQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-20-14-8-12(4)13(11(2)3)9-15(14)21(18,19)17-7-6-16-10-17/h6-11H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole has a molecular weight of 308.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylimidazole is sourced from PubChem (CID 16805046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).