[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

C22H27FN2O5S — CID 35380229

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C22H27FN2O5S/c1-3-25(4-2)31(28,29)19-12-9-17(10-13-19)11-14-22(27)30-16-21(26)24-15-18-7-5-6-8-20(18)23/h5-10,12-13H,3-4,11,14-16H2,1-2H3,(H,24,26)
InChIKeyCOVUVDIBEQCGEE-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.65
Rot. Bonds11

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (PubChem CID 35380229) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
PubChem CID35380229
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C22H27FN2O5S/c1-3-25(4-2)31(28,29)19-12-9-17(10-13-19)11-14-22(27)30-16-21(26)24-15-18-7-5-6-8-20(18)23/h5-10,12-13H,3-4,11,14-16H2,1-2H3,(H,24,26)
InChIKeyCOVUVDIBEQCGEE-UHFFFAOYSA-N
XLogP2.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609829
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403662
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
CID 36709924
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (CID 35380229) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The InChIKey is COVUVDIBEQCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-3-25(4-2)31(28,29)19-12-9-17(10-13-19)11-14-22(27)30-16-21(26)24-15-18-7-5-6-8-20(18)23/h5-10,12-13H,3-4,11,14-16H2,1-2H3,(H,24,26).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate has a molecular weight of 450.53 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 35380229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).