N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide

C15H18FN3O3S — CID 75500271

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10(2)15-17-6-7-19(15)9-14(20)18-13-8-11(23(3,21)22)4-5-12(13)16/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyFVJLHFCTAQEQSS-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.19
Rot. Bonds5

About N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 75500271) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID75500271
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C15H18FN3O3S/c1-10(2)15-17-6-7-19(15)9-14(20)18-13-8-11(23(3,21)22)4-5-12(13)16/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyFVJLHFCTAQEQSS-UHFFFAOYSA-N
XLogP2.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 33006391
5-(2-fluoro-5-methylsulfonylanilino)-3-methyl-5-oxopentanoic acid
CID 62964722
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55385210
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 146129639
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
CID 43708238
2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 97059230
N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31931110
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 78798614

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 75500271) is N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is FVJLHFCTAQEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10(2)15-17-6-7-19(15)9-14(20)18-13-8-11(23(3,21)22)4-5-12(13)16/h4-8,10H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 75500271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).