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

C20H20N4O6S — CID 24982402

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20N4O6S/c1-14(25)22-16-7-9-17(10-8-16)31(27,28)21-12-11-19(26)29-13-18-23-24-20(30-18)15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3,(H,22,25)
InChIKeyQITBTPLHNXFQIQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.11
Rot. Bonds9

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 24982402) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID24982402
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20N4O6S/c1-14(25)22-16-7-9-17(10-8-16)31(27,28)21-12-11-19(26)29-13-18-23-24-20(30-18)15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3,(H,22,25)
InChIKeyQITBTPLHNXFQIQ-UHFFFAOYSA-N
XLogP2.11
TPSA140.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate 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 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 24982402) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is QITBTPLHNXFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-14(25)22-16-7-9-17(10-8-16)31(27,28)21-12-11-19(26)29-13-18-23-24-20(30-18)15-5-3-2-4-6-15/h2-10,21H,11-13H2,1H3,(H,22,25).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 444.47 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 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 3-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 24982402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).