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

C19H17N3O5S — CID 3318697

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)C=Cc1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N3O5S/c23-18(13-20-28(24,25)12-11-15-7-3-1-4-8-15)26-14-17-21-22-19(27-17)16-9-5-2-6-10-16/h1-12,20H,13-14H2
InChIKeyAOPNXFMZUCUQJU-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.37
Rot. Bonds8

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate (PubChem CID 3318697) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
PubChem CID3318697
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)C=Cc1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N3O5S/c23-18(13-20-28(24,25)12-11-15-7-3-1-4-8-15)26-14-17-21-22-19(27-17)16-9-5-2-6-10-16/h1-12,20H,13-14H2
InChIKeyAOPNXFMZUCUQJU-UHFFFAOYSA-N
XLogP2.37
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 18285226
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55730614
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807928
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
(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-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42004038

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate (CID 3318697) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate is O=C(CNS(=O)(=O)C=Cc1ccccc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate?
The InChIKey is AOPNXFMZUCUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-18(13-20-28(24,25)12-11-15-7-3-1-4-8-15)26-14-17-21-22-19(27-17)16-9-5-2-6-10-16/h1-12,20H,13-14H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate has a molecular weight of 399.43 g/mol, XLogP of 2.37, 8 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-(2-phenylethenylsulfonylamino)acetate is sourced from PubChem (CID 3318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).