N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide

C19H24FN3O3S — CID 86889898

IUPACN-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1nccn1-c1cccc(F)c1)NC1CCCCCCC1
InChIInChI=1S/C19H24FN3O3S/c20-15-7-6-10-17(13-15)23-12-11-21-19(23)27(25,26)14-18(24)22-16-8-4-2-1-3-5-9-16/h6-7,10-13,16H,1-5,8-9,14H2,(H,22,24)
InChIKeyGXBQRQUERCMPLI-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.01
Rot. Bonds5

About N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide

N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide (PubChem CID 86889898) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
PubChem CID86889898
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1nccn1-c1cccc(F)c1)NC1CCCCCCC1
InChIInChI=1S/C19H24FN3O3S/c20-15-7-6-10-17(13-15)23-12-11-21-19(23)27(25,26)14-18(24)22-16-8-4-2-1-3-5-9-16/h6-7,10-13,16H,1-5,8-9,14H2,(H,22,24)
InChIKeyGXBQRQUERCMPLI-UHFFFAOYSA-N
XLogP3.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-fluorophenyl)-4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfonylmethyl]-1,3-thiazole
CID 86889864
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide
CID 86889869
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
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CID 4157005
N-cyclohexyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42658241
N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide
CID 47075882

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide?
The IUPAC name of N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide (CID 86889898) is N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide.
What is the SMILES notation for N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide?
The canonical SMILES for N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide is O=C(CS(=O)(=O)c1nccn1-c1cccc(F)c1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide?
The InChIKey is GXBQRQUERCMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c20-15-7-6-10-17(13-15)23-12-11-21-19(23)27(25,26)14-18(24)22-16-8-4-2-1-3-5-9-16/h6-7,10-13,16H,1-5,8-9,14H2,(H,22,24).
What are the key properties of N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide?
N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide has a molecular weight of 393.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide is sourced from PubChem (CID 86889898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).