1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine

C20H24F2N2O4S — CID 112804277

IUPAC1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O4S/c1-15(19-7-2-16(21)14-20(19)22)23-8-11-28-17-3-5-18(6-4-17)29(25,26)24-9-12-27-13-10-24/h2-7,14-15,23H,8-13H2,1H3
InChIKeyKARMZGAWWPWSQB-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.72
Rot. Bonds8

About 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine (PubChem CID 112804277) has the molecular formula C20H24F2N2O4S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine
PubChem CID112804277
Molecular FormulaC20H24F2N2O4S
Molecular Weight426.49 g/mol
Exact Mass426.14
IUPAC Name1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O4S/c1-15(19-7-2-16(21)14-20(19)22)23-8-11-28-17-3-5-18(6-4-17)29(25,26)24-9-12-27-13-10-24/h2-7,14-15,23H,8-13H2,1H3
InChIKeyKARMZGAWWPWSQB-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine 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

1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234915
N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
CID 55868879
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine (CID 112804277) is 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine is CC(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine?
The InChIKey is KARMZGAWWPWSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4S/c1-15(19-7-2-16(21)14-20(19)22)23-8-11-28-17-3-5-18(6-4-17)29(25,26)24-9-12-27-13-10-24/h2-7,14-15,23H,8-13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine has a molecular weight of 426.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 112804277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).