2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide

C22H22ClN3O2S — CID 112837508

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C22H22ClN3O2S/c23-18-13-7-6-12-17(18)21-25-26-22(28-21)29-14-19(27)24-20(16-10-4-5-11-16)15-8-2-1-3-9-15/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27)
InChIKeyVTWCWPNSOGKTRZ-UHFFFAOYSA-N
MW427.96 g/mol
LogP5.53
Rot. Bonds7

About 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide (PubChem CID 112837508) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide
PubChem CID112837508
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C22H22ClN3O2S/c23-18-13-7-6-12-17(18)21-25-26-22(28-21)29-14-19(27)24-20(16-10-4-5-11-16)15-8-2-1-3-9-15/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27)
InChIKeyVTWCWPNSOGKTRZ-UHFFFAOYSA-N
XLogP5.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
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2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 155951178
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide
CID 112796133
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 125042615
N-(2-adamantyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4520175
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 78863259
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 5133430
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-difluorophenyl)acetamide
CID 78824827
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7418369
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3873494

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide (CID 112837508) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide is O=C(CSc1nnc(-c2ccccc2Cl)o1)NC(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide?
The InChIKey is VTWCWPNSOGKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-18-13-7-6-12-17(18)21-25-26-22(28-21)29-14-19(27)24-20(16-10-4-5-11-16)15-8-2-1-3-9-15/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide has a molecular weight of 427.96 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide is sourced from PubChem (CID 112837508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).