2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide

C16H27FN2O3S — CID 129202028

IUPAC2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
SMILESCCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3
InChIKeyDAJJLJIDKUHRCZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.13
Rot. Bonds11

About 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide

2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide (PubChem CID 129202028) has the molecular formula C16H27FN2O3S and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
PubChem CID129202028
Molecular FormulaC16H27FN2O3S
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
SMILESCCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3
InChIKeyDAJJLJIDKUHRCZ-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide 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

[5-butoxy-2-(2-fluorophenyl)-1-(methylsulfamoyl)pentan-2-yl]thiourea
CID 129202041
2-[(2S)-2-amino-3-butoxy-2-(2-fluorophenyl)propyl]sulfonyl-2-cyclopropylpropanenitrile
CID 118554511
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
butyl N-[1-(2-fluorophenyl)-1-methylsulfanyl-4-oxopentyl]carbamate
CID 70302169
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
methyl 2-(aminomethyl)-4-butoxy-2-(2-methylphenyl)butanoate
CID 106509042
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
1-(2-butoxyethylsulfanyl)-2-fluorobenzene
CID 78903276

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The IUPAC name of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide (CID 129202028) is 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide.
What is the SMILES notation for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The canonical SMILES for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide is CCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F.
What is the InChIKey of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The InChIKey is DAJJLJIDKUHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3.
What are the key properties of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide has a molecular weight of 346.47 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 129202028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).