2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

C21H24N4O5S2 — CID 1167992

IUPAC2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-4-25(5-2)32(27,28)18-12-6-15(7-13-18)20-23-24-21(30-20)31-14-19(26)22-16-8-10-17(29-3)11-9-16/h6-13H,4-5,14H2,1-3H3,(H,22,26)
InChIKeyADEDLTGTSGMTSN-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.51
Rot. Bonds10

About 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1167992) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID1167992
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C21H24N4O5S2/c1-4-25(5-2)32(27,28)18-12-6-15(7-13-18)20-23-24-21(30-20)31-14-19(26)22-16-8-10-17(29-3)11-9-16/h6-13H,4-5,14H2,1-3H3,(H,22,26)
InChIKeyADEDLTGTSGMTSN-UHFFFAOYSA-N
XLogP3.51
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 1167992) is 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ADEDLTGTSGMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-4-25(5-2)32(27,28)18-12-6-15(7-13-18)20-23-24-21(30-20)31-14-19(26)22-16-8-10-17(29-3)11-9-16/h6-13H,4-5,14H2,1-3H3,(H,22,26).
What are the key properties of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1167992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).