N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide

C17H19FN2O4S — CID 78852521

IUPACN-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19FN2O4S/c1-13(24-15-7-5-6-14(18)12-15)17(21)19-10-11-20-25(22,23)16-8-3-2-4-9-16/h2-9,12-13,20H,10-11H2,1H3,(H,19,21)
InChIKeyWACQIAGFUOBGRP-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.69
Rot. Bonds8

About N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide

N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide (PubChem CID 78852521) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
PubChem CID78852521
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19FN2O4S/c1-13(24-15-7-5-6-14(18)12-15)17(21)19-10-11-20-25(22,23)16-8-3-2-4-9-16/h2-9,12-13,20H,10-11H2,1H3,(H,19,21)
InChIKeyWACQIAGFUOBGRP-UHFFFAOYSA-N
XLogP1.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(benzenesulfonamido)ethyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine
CID 111681328
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 164548562
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide (CID 78852521) is N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide?
The InChIKey is WACQIAGFUOBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-13(24-15-7-5-6-14(18)12-15)17(21)19-10-11-20-25(22,23)16-8-3-2-4-9-16/h2-9,12-13,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide?
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide has a molecular weight of 366.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 78852521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).