N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide

C15H21FN2O2S — CID 63115224

IUPACN-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
SMILESNc1cc(F)ccc1NC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C15H21FN2O2S/c16-11-7-8-14(13(17)10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19)
InChIKeyVEHRDHQXFRZFPZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.82
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide

N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide (PubChem CID 63115224) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
PubChem CID63115224
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
SMILESNc1cc(F)ccc1NC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C15H21FN2O2S/c16-11-7-8-14(13(17)10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19)
InChIKeyVEHRDHQXFRZFPZ-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115237
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide (CID 63115224) is N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide is Nc1cc(F)ccc1NC(=O)CCCS(=O)C1CCCC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide?
The InChIKey is VEHRDHQXFRZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-11-7-8-14(13(17)10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide?
N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide is sourced from PubChem (CID 63115224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).