N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide

C21H22FN3O3S — CID 86889869

IUPACN,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)S(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C21H22FN3O3S/c1-3-24(4-2)20(26)19(16-9-6-5-7-10-16)29(27,28)21-23-13-14-25(21)18-12-8-11-17(22)15-18/h5-15,19H,3-4H2,1-2H3
InChIKeyULAQDPOKISKWKE-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.39
Rot. Bonds7

About N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide

N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide (PubChem CID 86889869) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide
PubChem CID86889869
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)S(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C21H22FN3O3S/c1-3-24(4-2)20(26)19(16-9-6-5-7-10-16)29(27,28)21-23-13-14-25(21)18-12-8-11-17(22)15-18/h5-15,19H,3-4H2,1-2H3
InChIKeyULAQDPOKISKWKE-UHFFFAOYSA-N
XLogP3.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine
CID 99784743
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide
CID 52524902
N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
CID 86889898
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 40518644
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 17421872
methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808924
[3-(diethylcarbamoyl)phenyl] 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 166213561
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17474976
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 41139369

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide (CID 86889869) is N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)S(=O)(=O)c1nccn1-c1cccc(F)c1.
What is the InChIKey of N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide?
The InChIKey is ULAQDPOKISKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-3-24(4-2)20(26)19(16-9-6-5-7-10-16)29(27,28)21-23-13-14-25(21)18-12-8-11-17(22)15-18/h5-15,19H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide?
N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide has a molecular weight of 415.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide is sourced from PubChem (CID 86889869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).