N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C17H21N3O2S — CID 86931867

IUPACN-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccccc2SC2CCCC2)n1
InChIInChI=1S/C17H21N3O2S/c1-12-18-17(22-20-12)11-10-16(21)19-14-8-4-5-9-15(14)23-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,21)
InChIKeyYQCWCZRYOZMZAR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.98
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86931867) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID86931867
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccccc2SC2CCCC2)n1
InChIInChI=1S/C17H21N3O2S/c1-12-18-17(22-20-12)11-10-16(21)19-14-8-4-5-9-15(14)23-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,21)
InChIKeyYQCWCZRYOZMZAR-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 32559977
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2-hydroxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 104832953
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112820337
N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
N-(2-cyclopentylsulfanylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55615383
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112822319
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
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N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 32560857
N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
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N-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 86931867) is N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2ccccc2SC2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YQCWCZRYOZMZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-18-17(22-20-12)11-10-16(21)19-14-8-4-5-9-15(14)23-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 331.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86931867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).