(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate

C18H17N3O5S — CID 16533241

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-13-7-9-15(10-8-13)27(23,24)19-11-17(22)25-12-16-20-21-18(26-16)14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3
InChIKeyKDUGTLXFJSYSHM-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.07
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 16533241) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID16533241
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-13-7-9-15(10-8-13)27(23,24)19-11-17(22)25-12-16-20-21-18(26-16)14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3
InChIKeyKDUGTLXFJSYSHM-UHFFFAOYSA-N
XLogP2.07
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.07
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
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526881
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2081197
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2089447
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155523061
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 2483899
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 57394996
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2418267
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 9118516
(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-(naphthalen-2-ylsulfonylamino)acetate
CID 2499151

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CID 16533241) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is KDUGTLXFJSYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-13-7-9-15(10-8-13)27(23,24)19-11-17(22)25-12-16-20-21-18(26-16)14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 387.42 g/mol, XLogP of 2.07, 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-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 16533241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).