[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C21H23FN2O6S — CID 2340548

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O6S/c1-3-24(4-2)31(28,29)18-11-7-16(8-12-18)21(27)23-13-20(26)30-14-19(25)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyYJMJXEIWKIHJBI-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.01
Rot. Bonds10

About [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 2340548) has the molecular formula C21H23FN2O6S and a molecular weight of 450.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID2340548
Molecular FormulaC21H23FN2O6S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O6S/c1-3-24(4-2)31(28,29)18-11-7-16(8-12-18)21(27)23-13-20(26)30-14-19(25)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyYJMJXEIWKIHJBI-UHFFFAOYSA-N
XLogP2.01
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
(S)-3-Phenyl-2-(4-sulfamoyl-benzoylamino)-propionic acid
CID 44296089
2-(4-Fluorophenyl)-2-oxoethyl {[(benzoylamino)acetyl]amino}acetate
CID 1618550
2-(4-ethylphenyl)-2-oxoethyl N-(phenylsulfonyl)glycylglycinate
CID 2166088
2-[[4-(Diethylsulfamoyl)benzoyl]amino]ethyl 2,4-difluorobenzoate
CID 2328727
[2-(Benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2346668
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2429922
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2431631
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433703
[2-(Benzylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2465012

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 2340548) is [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is YJMJXEIWKIHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O6S/c1-3-24(4-2)31(28,29)18-11-7-16(8-12-18)21(27)23-13-20(26)30-14-19(25)15-5-9-17(22)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 450.49 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 2340548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).