2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

C17H13FIN3O2S — CID 3301651

IUPAC2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H13FIN3O2S/c1-10-7-13(19)5-6-14(10)20-15(23)9-25-17-22-21-16(24-17)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyVGPCHVVWRMQVQN-UHFFFAOYSA-N
MW469.28 g/mol
LogP4.52
Rot. Bonds5

About 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 3301651) has the molecular formula C17H13FIN3O2S and a molecular weight of 469.28 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID3301651
Molecular FormulaC17H13FIN3O2S
Molecular Weight469.28 g/mol
Exact Mass468.98
IUPAC Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H13FIN3O2S/c1-10-7-13(19)5-6-14(10)20-15(23)9-25-17-22-21-16(24-17)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,20,23)
InChIKeyVGPCHVVWRMQVQN-UHFFFAOYSA-N
XLogP4.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 54.52
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-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 4238527
N-(4-iodo-2-methylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4665928
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(4-iodo-2-methylphenyl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3912571
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4317308
N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide
CID 3452680
N-(4-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3633665
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 4559775
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3250292
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide (CID 3301651) is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is VGPCHVVWRMQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FIN3O2S/c1-10-7-13(19)5-6-14(10)20-15(23)9-25-17-22-21-16(24-17)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 469.28 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 3301651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).