N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide

C14H19FN2O3S — CID 63119729

IUPACN-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
SMILESNc1ccc(F)c(NC(=O)CS(=O)(=O)CC2CCCC2)c1
InChIInChI=1S/C14H19FN2O3S/c15-12-6-5-11(16)7-13(12)17-14(18)9-21(19,20)8-10-3-1-2-4-10/h5-7,10H,1-4,8-9,16H2,(H,17,18)
InChIKeyBTLCYPBDKCVOPU-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.95
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide

N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide (PubChem CID 63119729) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
PubChem CID63119729
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
SMILESNc1ccc(F)c(NC(=O)CS(=O)(=O)CC2CCCC2)c1
InChIInChI=1S/C14H19FN2O3S/c15-12-6-5-11(16)7-13(12)17-14(18)9-21(19,20)8-10-3-1-2-4-10/h5-7,10H,1-4,8-9,16H2,(H,17,18)
InChIKeyBTLCYPBDKCVOPU-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide 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-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(5-amino-2-fluorophenyl)acetamide
CID 82751891
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-(5-amino-2-fluorophenyl)-2-(2,6-dioxopiperidin-1-yl)acetamide
CID 43447518
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
CID 78973770
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide (CID 63119729) is N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide is Nc1ccc(F)c(NC(=O)CS(=O)(=O)CC2CCCC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide?
The InChIKey is BTLCYPBDKCVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-12-6-5-11(16)7-13(12)17-14(18)9-21(19,20)8-10-3-1-2-4-10/h5-7,10H,1-4,8-9,16H2,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide is sourced from PubChem (CID 63119729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).