2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole

C15H20N2O3S — CID 802038

IUPAC2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H20N2O3S/c1-6-15-16-12(4)9-17(15)21(18,19)14-8-10(2)13(20-5)7-11(14)3/h7-9H,6H2,1-5H3
InChIKeyIOXLJAQFRAIPNC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.62
Rot. Bonds4

About 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole

2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole (PubChem CID 802038) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole
PubChem CID802038
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H20N2O3S/c1-6-15-16-12(4)9-17(15)21(18,19)14-8-10(2)13(20-5)7-11(14)3/h7-9H,6H2,1-5H3
InChIKeyIOXLJAQFRAIPNC-UHFFFAOYSA-N
XLogP2.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole (CID 802038) is 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is IOXLJAQFRAIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-6-15-16-12(4)9-17(15)21(18,19)14-8-10(2)13(20-5)7-11(14)3/h7-9H,6H2,1-5H3.
What are the key properties of 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole?
2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 308.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 802038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).