1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide

C18H20FN5O3S — CID 122303539

IUPAC1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)nc1C
InChIInChI=1S/C18H20FN5O3S/c1-5-24-10-16(22-13(24)4)28(25,26)23-17-11(2)20-18(21-12(17)3)27-15-9-7-6-8-14(15)19/h6-10,23H,5H2,1-4H3
InChIKeyCEUNTXAWQFNTHW-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.35
Rot. Bonds6

About 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide (PubChem CID 122303539) has the molecular formula C18H20FN5O3S and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
PubChem CID122303539
Molecular FormulaC18H20FN5O3S
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC Name1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)nc1C
InChIInChI=1S/C18H20FN5O3S/c1-5-24-10-16(22-13(24)4)28(25,26)23-17-11(2)20-18(21-12(17)3)27-15-9-7-6-8-14(15)19/h6-10,23H,5H2,1-4H3
InChIKeyCEUNTXAWQFNTHW-UHFFFAOYSA-N
XLogP3.35
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide (CID 122303539) is 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)nc1C.
What is the InChIKey of 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide?
The InChIKey is CEUNTXAWQFNTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3S/c1-5-24-10-16(22-13(24)4)28(25,26)23-17-11(2)20-18(21-12(17)3)27-15-9-7-6-8-14(15)19/h6-10,23H,5H2,1-4H3.
What are the key properties of 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide has a molecular weight of 405.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122303539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).