N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

C18H22FNO5S — CID 5049847

IUPACN-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H22FNO5S/c1-2-24-11-5-10-20-18(21)17-9-8-15(25-17)13-26(22,23)12-14-6-3-4-7-16(14)19/h3-4,6-9H,2,5,10-13H2,1H3,(H,20,21)
InChIKeyBIVLYLXIIAHHPA-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.69
Rot. Bonds10

About N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 5049847) has the molecular formula C18H22FNO5S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID5049847
Molecular FormulaC18H22FNO5S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC NameN-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H22FNO5S/c1-2-24-11-5-10-20-18(21)17-9-8-15(25-17)13-26(22,23)12-14-6-3-4-7-16(14)19/h3-4,6-9H,2,5,10-13H2,1H3,(H,20,21)
InChIKeyBIVLYLXIIAHHPA-UHFFFAOYSA-N
XLogP2.69
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide 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-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 5049847) is N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is BIVLYLXIIAHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO5S/c1-2-24-11-5-10-20-18(21)17-9-8-15(25-17)13-26(22,23)12-14-6-3-4-7-16(14)19/h3-4,6-9H,2,5,10-13H2,1H3,(H,20,21).
What are the key properties of N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5049847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).