N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide

C16H21N3O4S — CID 9189117

IUPACN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
SMILESCS(=O)(=O)c1nnc(CCCCCNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)16-19-18-15(23-16)10-6-3-7-11-17-14(20)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,20)
InChIKeyIRJRJMZHYXGKJJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.54
Rot. Bonds9

About N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide (PubChem CID 9189117) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
PubChem CID9189117
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
SMILESCS(=O)(=O)c1nnc(CCCCCNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)16-19-18-15(23-16)10-6-3-7-11-17-14(20)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,20)
InChIKeyIRJRJMZHYXGKJJ-UHFFFAOYSA-N
XLogP1.54
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
CID 9189066
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188749
3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
CID 9188869
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
(E)-3-(4-chlorophenyl)-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]prop-2-enamide
CID 9189136
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
CID 9189000

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide (CID 9189117) is N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide is CS(=O)(=O)c1nnc(CCCCCNC(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide?
The InChIKey is IRJRJMZHYXGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-24(21,22)16-19-18-15(23-16)10-6-3-7-11-17-14(20)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,20).
What are the key properties of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide?
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide has a molecular weight of 351.43 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide is sourced from PubChem (CID 9189117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).