N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C17H22FN3O3S — CID 72841981

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O3S/c1-12(2)16-19-8-10-21(16)13(3)17(22)20-9-11-25(23,24)15-6-4-14(18)5-7-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,22)
InChIKeyUVYBTJVPWBKLNJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72841981) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72841981
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O3S/c1-12(2)16-19-8-10-21(16)13(3)17(22)20-9-11-25(23,24)15-6-4-14(18)5-7-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,22)
InChIKeyUVYBTJVPWBKLNJ-UHFFFAOYSA-N
XLogP2.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
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2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
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N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
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(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72841981) is N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is UVYBTJVPWBKLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c1-12(2)16-19-8-10-21(16)13(3)17(22)20-9-11-25(23,24)15-6-4-14(18)5-7-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72841981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).