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

C19H19N3O6S — CID 9118516

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O6S/c1-2-26-15-8-10-16(11-9-15)29(24,25)20-12-18(23)27-13-17-21-22-19(28-17)14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3
InChIKeyPAPQRFPSJPWEDX-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.16
Rot. Bonds9

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate (PubChem CID 9118516) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate
PubChem CID9118516
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O6S/c1-2-26-15-8-10-16(11-9-15)29(24,25)20-12-18(23)27-13-17-21-22-19(28-17)14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3
InChIKeyPAPQRFPSJPWEDX-UHFFFAOYSA-N
XLogP2.16
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate (CID 9118516) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate is CCOc1ccc(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-ethoxyphenyl)sulfonylamino]acetate?
The InChIKey is PAPQRFPSJPWEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-2-26-15-8-10-16(11-9-15)29(24,25)20-12-18(23)27-13-17-21-22-19(28-17)14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]acetate has a molecular weight of 417.44 g/mol, XLogP of 2.16, 9 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-ethoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 9118516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).