(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide

C14H21FN2O5S — CID 125144367

IUPAC(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide
SMILESCO[C@](C)(C(=O)NCCOCCS(N)(=O)=O)c1ccccc1F
InChIInChI=1S/C14H21FN2O5S/c1-14(21-2,11-5-3-4-6-12(11)15)13(18)17-7-8-22-9-10-23(16,19)20/h3-6H,7-10H2,1-2H3,(H,17,18)(H2,16,19,20)/t14-/m0/s1
InChIKeySPGXCCUWBUFEQR-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.11
Rot. Bonds9

About (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide

(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide (PubChem CID 125144367) has the molecular formula C14H21FN2O5S and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide
PubChem CID125144367
Molecular FormulaC14H21FN2O5S
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide
SMILESCO[C@](C)(C(=O)NCCOCCS(N)(=O)=O)c1ccccc1F
InChIInChI=1S/C14H21FN2O5S/c1-14(21-2,11-5-3-4-6-12(11)15)13(18)17-7-8-22-9-10-23(16,19)20/h3-6H,7-10H2,1-2H3,(H,17,18)(H2,16,19,20)/t14-/m0/s1
InChIKeySPGXCCUWBUFEQR-AWEZNQCLSA-N
XLogP0.11
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide 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 (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide (CID 125144367) is (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide is CO[C@](C)(C(=O)NCCOCCS(N)(=O)=O)c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide?
The InChIKey is SPGXCCUWBUFEQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21FN2O5S/c1-14(21-2,11-5-3-4-6-12(11)15)13(18)17-7-8-22-9-10-23(16,19)20/h3-6H,7-10H2,1-2H3,(H,17,18)(H2,16,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide?
(2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide has a molecular weight of 348.40 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-2-methoxy-N-[2-(2-sulfamoylethoxy)ethyl]propanamide is sourced from PubChem (CID 125144367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).