2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide

C19H18FN3O3S — CID 78876781

IUPAC2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c20-16-8-4-5-9-17(16)22-19(24)14-27(25,26)13-18-21-10-11-23(18)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24)
InChIKeyLYPOPKWMAHDWCU-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.62
Rot. Bonds7

About 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide (PubChem CID 78876781) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
PubChem CID78876781
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c20-16-8-4-5-9-17(16)22-19(24)14-27(25,26)13-18-21-10-11-23(18)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24)
InChIKeyLYPOPKWMAHDWCU-UHFFFAOYSA-N
XLogP2.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
CID 86989667
(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide
CID 97082617
4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 78877702
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide
CID 78882457
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
N-(2-fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
CID 78852488

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide (CID 78876781) is 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide is O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)Nc1ccccc1F.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LYPOPKWMAHDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-16-8-4-5-9-17(16)22-19(24)14-27(25,26)13-18-21-10-11-23(18)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide?
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 78876781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).