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

C20H21FN4O4S2 — CID 653085

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H21FN4O4S2/c1-3-25(4-2)31(27,28)17-11-9-16(10-12-17)22-18(26)13-30-20-24-23-19(29-20)14-5-7-15(21)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKeyUDYCEQBGILAMHM-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.64
Rot. Bonds9

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

N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 653085) has the molecular formula C20H21FN4O4S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID653085
Molecular FormulaC20H21FN4O4S2
Molecular Weight464.54 g/mol
Exact Mass464.10
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H21FN4O4S2/c1-3-25(4-2)31(27,28)17-11-9-16(10-12-17)22-18(26)13-30-20-24-23-19(29-20)14-5-7-15(21)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKeyUDYCEQBGILAMHM-UHFFFAOYSA-N
XLogP3.64
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 653085) is N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UDYCEQBGILAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S2/c1-3-25(4-2)31(27,28)17-11-9-16(10-12-17)22-18(26)13-30-20-24-23-19(29-20)14-5-7-15(21)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 464.54 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 653085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).