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

C16H12IN3O2S — CID 2614317

IUPACN-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(I)cc1
InChIInChI=1S/C16H12IN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyGQAFKGMFPHEWJP-UHFFFAOYSA-N
MW437.26 g/mol
LogP4.07
Rot. Bonds5

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

N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2614317) has the molecular formula C16H12IN3O2S and a molecular weight of 437.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2614317
Molecular FormulaC16H12IN3O2S
Molecular Weight437.26 g/mol
Exact Mass436.97
IUPAC NameN-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(I)cc1
InChIInChI=1S/C16H12IN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyGQAFKGMFPHEWJP-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.26
LogP ≤ 54.07
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

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CID 855986
4-Oxo-4-{[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino}butanoic acid
CID 888626
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4830074
Methyl 3-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
CID 6462123
N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetamide
CID 697199
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4,6-tetramethyl-1-quinolinyl)ethanone
CID 1167733
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 2155723
N-(3,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 655365
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2614317) is N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GQAFKGMFPHEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 437.26 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2614317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).