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

C13H17FN2O2S — CID 63115470

IUPACN-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
SMILESNc1cc(F)ccc1NC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C13H17FN2O2S/c14-9-5-6-12(11(15)7-9)16-13(17)8-19(18)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyRFEMWVRZZGEDCF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide (PubChem CID 63115470) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
PubChem CID63115470
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
SMILESNc1cc(F)ccc1NC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C13H17FN2O2S/c14-9-5-6-12(11(15)7-9)16-13(17)8-19(18)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyRFEMWVRZZGEDCF-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
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)-4-cyclopentylsulfinylbutanamide
CID 63115224
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579564
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide (CID 63115470) is N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide is Nc1cc(F)ccc1NC(=O)CS(=O)C1CCCC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide?
The InChIKey is RFEMWVRZZGEDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-9-5-6-12(11(15)7-9)16-13(17)8-19(18)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide?
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.04, 4 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)-2-cyclopentylsulfinylacetamide is sourced from PubChem (CID 63115470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).