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

C16H11ClIN3O2S — CID 3926264

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1I
InChIInChI=1S/C16H11ClIN3O2S/c17-11-5-3-4-10(8-11)15-20-21-16(23-15)24-9-14(22)19-13-7-2-1-6-12(13)18/h1-8H,9H2,(H,19,22)
InChIKeyBUUAXQSTATXZLW-UHFFFAOYSA-N
MW471.71 g/mol
LogP4.73
Rot. Bonds5

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

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide (PubChem CID 3926264) has the molecular formula C16H11ClIN3O2S and a molecular weight of 471.71 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
PubChem CID3926264
Molecular FormulaC16H11ClIN3O2S
Molecular Weight471.71 g/mol
Exact Mass470.93
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1I
InChIInChI=1S/C16H11ClIN3O2S/c17-11-5-3-4-10(8-11)15-20-21-16(23-15)24-9-14(22)19-13-7-2-1-6-12(13)18/h1-8H,9H2,(H,19,22)
InChIKeyBUUAXQSTATXZLW-UHFFFAOYSA-N
XLogP4.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.71
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3250292
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 7533940
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 5031722
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600027
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 7533871
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
N-(3-chlorophenyl)-2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1374929
dimethyl 2-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 4029708
N-(2,5-dichlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5033341

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide (CID 3926264) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide is O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1I.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide?
The InChIKey is BUUAXQSTATXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClIN3O2S/c17-11-5-3-4-10(8-11)15-20-21-16(23-15)24-9-14(22)19-13-7-2-1-6-12(13)18/h1-8H,9H2,(H,19,22).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide has a molecular weight of 471.71 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 3926264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).