1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole

C17H24N2O3S — CID 4914488

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1CC
InChIInChI=1S/C17H24N2O3S/c1-6-17-18-8-9-19(17)23(20,21)16-11-14(12(3)4)13(5)10-15(16)22-7-2/h8-12H,6-7H2,1-5H3
InChIKeyCQAUTVKDODEIFA-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.51
Rot. Bonds6

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

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole (PubChem CID 4914488) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole
PubChem CID4914488
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1CC
InChIInChI=1S/C17H24N2O3S/c1-6-17-18-8-9-19(17)23(20,21)16-11-14(12(3)4)13(5)10-15(16)22-7-2/h8-12H,6-7H2,1-5H3
InChIKeyCQAUTVKDODEIFA-UHFFFAOYSA-N
XLogP3.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.51
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)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole (CID 4914488) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1CC.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is CQAUTVKDODEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-6-17-18-8-9-19(17)23(20,21)16-11-14(12(3)4)13(5)10-15(16)22-7-2/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 336.46 g/mol, XLogP of 3.51, 6 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)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 4914488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).