2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H20N4O5S2 — CID 24981798

IUPAC2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H20N4O5S2/c1-4-21(5-2)28(23,24)12-6-7-14-13(9-12)18-17(25-14)27-10-16(22)19-15-8-11(3)26-20-15/h6-9H,4-5,10H2,1-3H3,(H,19,20,22)
InChIKeyDYCZLLCUVWUNDQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.89
Rot. Bonds8

About 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24981798) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24981798
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H20N4O5S2/c1-4-21(5-2)28(23,24)12-6-7-14-13(9-12)18-17(25-14)27-10-16(22)19-15-8-11(3)26-20-15/h6-9H,4-5,10H2,1-3H3,(H,19,20,22)
InChIKeyDYCZLLCUVWUNDQ-UHFFFAOYSA-N
XLogP2.89
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24981798) is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1.
What is the InChIKey of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DYCZLLCUVWUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c1-4-21(5-2)28(23,24)12-6-7-14-13(9-12)18-17(25-14)27-10-16(22)19-15-8-11(3)26-20-15/h6-9H,4-5,10H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24981798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).