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

C16H20N4O6S — CID 55539361

IUPAC(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCc1noc(COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H20N4O6S/c1-3-14-19-15(26-20-14)10-25-16(22)8-9-17-27(23,24)13-6-4-12(5-7-13)18-11(2)21/h4-7,17H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyRKYOWDVSVZKUJG-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.00
Rot. Bonds9

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

(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 55539361) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID55539361
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCc1noc(COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H20N4O6S/c1-3-14-19-15(26-20-14)10-25-16(22)8-9-17-27(23,24)13-6-4-12(5-7-13)18-11(2)21/h4-7,17H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyRKYOWDVSVZKUJG-UHFFFAOYSA-N
XLogP1.00
TPSA140.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55556510
[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30666166
(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55634611
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 42915856
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870395
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30441665
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55534243
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 24686770

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 55539361) is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate is CCc1noc(COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is RKYOWDVSVZKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-3-14-19-15(26-20-14)10-25-16(22)8-9-17-27(23,24)13-6-4-12(5-7-13)18-11(2)21/h4-7,17H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 396.43 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55539361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).