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

C15H21N3O5S2 — CID 9189022

IUPACN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCCCCNS(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C15H21N3O5S2/c1-24(19,20)15-18-17-14(23-15)10-6-3-7-11-16-25(21,22)12-13-8-4-2-5-9-13/h2,4-5,8-9,16H,3,6-7,10-12H2,1H3
InChIKeyIKZYMDIVDXATIO-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.31
Rot. Bonds10

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

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide (PubChem CID 9189022) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
PubChem CID9189022
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC NameN-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCCCCNS(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C15H21N3O5S2/c1-24(19,20)15-18-17-14(23-15)10-6-3-7-11-16-25(21,22)12-13-8-4-2-5-9-13/h2,4-5,8-9,16H,3,6-7,10-12H2,1H3
InChIKeyIKZYMDIVDXATIO-UHFFFAOYSA-N
XLogP1.31
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9188614
4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
CID 9189000
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
CID 9189066
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide (CID 9189022) is N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide is CS(=O)(=O)c1nnc(CCCCCNS(=O)(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide?
The InChIKey is IKZYMDIVDXATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-24(19,20)15-18-17-14(23-15)10-6-3-7-11-16-25(21,22)12-13-8-4-2-5-9-13/h2,4-5,8-9,16H,3,6-7,10-12H2,1H3.
What are the key properties of N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide?
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 1.31, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 9189022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).