2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide

C14H19FN2OS — CID 79141100

IUPAC2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1ccc(N)c(F)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19FN2OS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeySUUBOIKQXMFGFW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 79141100) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID79141100
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1ccc(N)c(F)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19FN2OS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeySUUBOIKQXMFGFW-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-fluorophenyl)sulfanyl-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-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
CID 79141392
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79140731
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide (CID 79141100) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide is CC(Sc1ccc(N)c(F)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is SUUBOIKQXMFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 282.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 79141100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).