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

C19H23FN2O4S — CID 51214621

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-2-26-17-6-8-18(9-7-17)27(24,25)22-13-11-19(23)21-12-10-15-4-3-5-16(20)14-15/h3-9,14,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyOFABRFACGSHNSU-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.25
Rot. Bonds10

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide (PubChem CID 51214621) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
PubChem CID51214621
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-2-26-17-6-8-18(9-7-17)27(24,25)22-13-11-19(23)21-12-10-15-4-3-5-16(20)14-15/h3-9,14,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyOFABRFACGSHNSU-UHFFFAOYSA-N
XLogP2.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
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3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
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3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
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N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
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3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 39632964
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
CID 71912169
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide (CID 51214621) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is OFABRFACGSHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-2-26-17-6-8-18(9-7-17)27(24,25)22-13-11-19(23)21-12-10-15-4-3-5-16(20)14-15/h3-9,14,22H,2,10-13H2,1H3,(H,21,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide has a molecular weight of 394.47 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 51214621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).