(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C22H24N4O6S — CID 55304005

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H24N4O6S/c1-3-26(4-2)33(29,30)18-12-10-16(11-13-18)21(28)23-14-20(27)31-15-19-24-25-22(32-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,28)
InChIKeyMDGCESRFMSHJAN-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.24
Rot. Bonds10

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 55304005) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID55304005
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H24N4O6S/c1-3-26(4-2)33(29,30)18-12-10-16(11-13-18)21(28)23-14-20(27)31-15-19-24-25-22(32-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,28)
InChIKeyMDGCESRFMSHJAN-UHFFFAOYSA-N
XLogP2.24
TPSA131.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42982566
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2647341
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 9364281
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807928
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 35779425
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
CID 27707248
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 166183592
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7881882

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 55304005) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is MDGCESRFMSHJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-3-26(4-2)33(29,30)18-12-10-16(11-13-18)21(28)23-14-20(27)31-15-19-24-25-22(32-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,28).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 472.52 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 55304005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).