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

C12H17FN2O3S — CID 43615939

IUPACN-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
SMILESCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-2-3-6-19(17,18)8-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyHSEWOGXEOVQRQB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.56
Rot. Bonds6

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

N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide (PubChem CID 43615939) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
PubChem CID43615939
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
SMILESCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-2-3-6-19(17,18)8-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyHSEWOGXEOVQRQB-UHFFFAOYSA-N
XLogP1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide 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-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
methyl 2-[3-(2-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618124
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269222
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide (CID 43615939) is N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide is CCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide?
The InChIKey is HSEWOGXEOVQRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-2-3-6-19(17,18)8-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide?
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide has a molecular weight of 288.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide is sourced from PubChem (CID 43615939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).