N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H20ClN3O3S — CID 2036802

IUPACN-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-26-17-11-5-14(6-12-17)3-2-4-19-23-24-20(27-19)28-13-18(25)22-16-9-7-15(21)8-10-16/h5-12H,2-4,13H2,1H3,(H,22,25)
InChIKeyAQIRYAUBMNBGJQ-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.64
Rot. Bonds9

About N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2036802) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2036802
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-26-17-11-5-14(6-12-17)3-2-4-19-23-24-20(27-19)28-13-18(25)22-16-9-7-15(21)8-10-16/h5-12H,2-4,13H2,1H3,(H,22,25)
InChIKeyAQIRYAUBMNBGJQ-UHFFFAOYSA-N
XLogP4.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-2-methylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2295372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
N-(3-Chloro-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648851
N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 2525684
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
CID 3998519
2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
CID 4023844
N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 4303657
N-(4-fluorophenyl)-2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 5192380
2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 24686082
N-(2-cyanophenyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2975817
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
CID 3437321
2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
CID 4336745

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2036802) is N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AQIRYAUBMNBGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-26-17-11-5-14(6-12-17)3-2-4-19-23-24-20(27-19)28-13-18(25)22-16-9-7-15(21)8-10-16/h5-12H,2-4,13H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 417.92 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2036802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).