3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide

C19H23FN2O5S — CID 46461279

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O5S/c1-2-26-16-6-8-18(9-7-16)28(24,25)22-11-10-19(23)21-12-13-27-17-5-3-4-15(20)14-17/h3-9,14,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyLUWCSCUMYGDHSZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.09
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide (PubChem CID 46461279) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
PubChem CID46461279
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O5S/c1-2-26-16-6-8-18(9-7-16)28(24,25)22-11-10-19(23)21-12-13-27-17-5-3-4-15(20)14-17/h3-9,14,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyLUWCSCUMYGDHSZ-UHFFFAOYSA-N
XLogP2.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide (CID 46461279) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2cccc(F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide?
The InChIKey is LUWCSCUMYGDHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c1-2-26-16-6-8-18(9-7-16)28(24,25)22-11-10-19(23)21-12-13-27-17-5-3-4-15(20)14-17/h3-9,14,22H,2,10-13H2,1H3,(H,21,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide has a molecular weight of 410.47 g/mol, XLogP of 2.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 46461279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).