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

C16H21N3O4S — CID 9189066

IUPAC2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C16H21N3O4S/c1-12-8-5-6-9-13(12)15(20)17-11-7-3-4-10-14-18-19-16(23-14)24(2,21)22/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20)
InChIKeyGWXVMDMRXDANBX-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.92
Rot. Bonds8

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

2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide (PubChem CID 9189066) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
PubChem CID9189066
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C16H21N3O4S/c1-12-8-5-6-9-13(12)15(20)17-11-7-3-4-10-14-18-19-16(23-14)24(2,21)22/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20)
InChIKeyGWXVMDMRXDANBX-UHFFFAOYSA-N
XLogP1.92
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.92
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

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-hexyl-2-methylbenzamide
CID 3017102
(E)-3-(4-chlorophenyl)-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]prop-2-enamide
CID 9189136
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320797
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
CID 9188869
2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
CID 60550431
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide?
The IUPAC name of 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide (CID 9189066) is 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide is Cc1ccccc1C(=O)NCCCCCc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide?
The InChIKey is GWXVMDMRXDANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-8-5-6-9-13(12)15(20)17-11-7-3-4-10-14-18-19-16(23-14)24(2,21)22/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide?
2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 9189066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).