2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide

C14H19FN2O2S — CID 81183408

IUPAC2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyXQOBDEUPWZJQAA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide

2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide (PubChem CID 81183408) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
PubChem CID81183408
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyXQOBDEUPWZJQAA-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide 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

2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81183756
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81182603
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide (CID 81183408) is 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)S(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide?
The InChIKey is XQOBDEUPWZJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-9(14(18)17-11-4-2-3-5-11)20(19)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide?
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide has a molecular weight of 298.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide is sourced from PubChem (CID 81183408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).