N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide

C22H25FN2O3S — CID 91352306

IUPACN-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
SMILESNCCC[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C22H25FN2O3S/c23-21-12-13-22(20-11-5-4-10-19(20)21)29(26,27)25-18(9-6-14-24)16-28-15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18,25H,6,9,14-16,24H2/t18-/m0/s1
InChIKeyNEIXRIKBIAPNDT-SFHVURJKSA-N
MW416.52 g/mol
LogP3.58
Rot. Bonds10

About N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide

N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide (PubChem CID 91352306) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
PubChem CID91352306
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
SMILESNCCC[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C22H25FN2O3S/c23-21-12-13-22(20-11-5-4-10-19(20)21)29(26,27)25-18(9-6-14-24)16-28-15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18,25H,6,9,14-16,24H2/t18-/m0/s1
InChIKeyNEIXRIKBIAPNDT-SFHVURJKSA-N
XLogP3.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide (CID 91352306) is N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide is NCCC[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide?
The InChIKey is NEIXRIKBIAPNDT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-21-12-13-22(20-11-5-4-10-19(20)21)29(26,27)25-18(9-6-14-24)16-28-15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18,25H,6,9,14-16,24H2/t18-/m0/s1.
What are the key properties of N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide?
N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide is sourced from PubChem (CID 91352306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).