N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

C19H18FN3O4S — CID 9190102

IUPACN-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C19H18FN3O4S/c20-16-8-6-14(7-9-16)12-17(24)21-11-10-18-22-23-19(27-18)28(25,26)13-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,21,24)
InChIKeyZSTWPCIYDWNDCC-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.08
Rot. Bonds8

About N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 9190102) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID9190102
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC NameN-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C19H18FN3O4S/c20-16-8-6-14(7-9-16)12-17(24)21-11-10-18-22-23-19(27-18)28(25,26)13-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,21,24)
InChIKeyZSTWPCIYDWNDCC-UHFFFAOYSA-N
XLogP2.08
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
CID 9190213
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
CID 9190388
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 9189572
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutanamide
CID 9189591
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 9189649
2-(4-fluorophenyl)-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321192
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 9190102) is N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCc1nnc(S(=O)(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZSTWPCIYDWNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c20-16-8-6-14(7-9-16)12-17(24)21-11-10-18-22-23-19(27-18)28(25,26)13-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,21,24).
What are the key properties of N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9190102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).