N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide

C13H15FN2O4S — CID 39083672

IUPACN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)NC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c14-9-1-3-10(4-2-9)15-12(17)7-21(19,20)8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18)
InChIKeyJMZXIYWVGQKZHU-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.46
Rot. Bonds6

About N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide

N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide (PubChem CID 39083672) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
PubChem CID39083672
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC NameN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)NC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c14-9-1-3-10(4-2-9)15-12(17)7-21(19,20)8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18)
InChIKeyJMZXIYWVGQKZHU-UHFFFAOYSA-N
XLogP0.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9165511
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide
CID 39083675
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998042
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide (CID 39083672) is N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide is O=C(CS(=O)(=O)CC(=O)NC1CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
The InChIKey is JMZXIYWVGQKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c14-9-1-3-10(4-2-9)15-12(17)7-21(19,20)8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide?
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide has a molecular weight of 314.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 39083672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).