N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide

C21H20ClN3O2S — CID 39731359

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C21H20ClN3O2S/c1-14-6-10-16(11-7-14)28-13-20(26)25(15-8-9-15)12-19-23-24-21(27-19)17-4-2-3-5-18(17)22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyKJDXJHSDCFKZJO-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.98
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 39731359) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID39731359
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C21H20ClN3O2S/c1-14-6-10-16(11-7-14)28-13-20(26)25(15-8-9-15)12-19-23-24-21(27-19)17-4-2-3-5-18(17)22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyKJDXJHSDCFKZJO-UHFFFAOYSA-N
XLogP4.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55472994
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132325
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 55530747
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 16572669
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-methylmorpholin-4-yl)acetamide
CID 42929033
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
4-(4-chloro-3-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbutanamide
CID 16557568
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 60601234
5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 16561427
4-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbutanamide
CID 16557591

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide (CID 39731359) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is KJDXJHSDCFKZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-14-6-10-16(11-7-14)28-13-20(26)25(15-8-9-15)12-19-23-24-21(27-19)17-4-2-3-5-18(17)22/h2-7,10-11,15H,8-9,12-13H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 413.93 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 39731359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).