(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

C21H17N3O5S — CID 2499151

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H17N3O5S/c25-20(28-14-19-23-24-21(29-19)16-7-2-1-3-8-16)13-22-30(26,27)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,22H,13-14H2
InChIKeyXBWJRGIHZPPCJJ-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.91
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2499151) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2499151
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H17N3O5S/c25-20(28-14-19-23-24-21(29-19)16-7-2-1-3-8-16)13-22-30(26,27)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,22H,13-14H2
InChIKeyXBWJRGIHZPPCJJ-UHFFFAOYSA-N
XLogP2.91
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 151887648
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2089447
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2418267
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528787
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 2561822
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzenesulfonamido)propanoate
CID 7909292
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521358
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521597
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528876
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 16533241
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 16280064
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530472

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2499151) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is XBWJRGIHZPPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c25-20(28-14-19-23-24-21(29-19)16-7-2-1-3-8-16)13-22-30(26,27)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,22H,13-14H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 423.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2499151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).