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

C22H24ClN3O4S — CID 55321680

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OCC
InChIInChI=1S/C22H24ClN3O4S/c1-4-28-18-11-8-16(12-19(18)29-5-2)14(3)24-20(27)13-31-22-26-25-21(30-22)15-6-9-17(23)10-7-15/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyFCXNSIWEJKCMGM-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.16
Rot. Bonds10

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 55321680) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID55321680
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OCC
InChIInChI=1S/C22H24ClN3O4S/c1-4-28-18-11-8-16(12-19(18)29-5-2)14(3)24-20(27)13-31-22-26-25-21(30-22)15-6-9-17(23)10-7-15/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyFCXNSIWEJKCMGM-UHFFFAOYSA-N
XLogP5.16
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7940518
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534190
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78856959
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4828679
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534203
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7794321
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 112782865
N-(1-naphthalen-2-ylethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761530
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562577
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7444441
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide (CID 55321680) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(C(C)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OCC.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is FCXNSIWEJKCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-4-28-18-11-8-16(12-19(18)29-5-2)14(3)24-20(27)13-31-22-26-25-21(30-22)15-6-9-17(23)10-7-15/h6-12,14H,4-5,13H2,1-3H3,(H,24,27).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 461.97 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55321680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).