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

C18H15BrN4O3S — CID 92645210

IUPAC2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)c1
InChIInChI=1S/C18H15BrN4O3S/c1-11(24)20-13-6-4-5-12(9-13)17-22-23-18(26-17)27-10-16(25)21-15-8-3-2-7-14(15)19/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyGGIHZPCGUDEJTG-UHFFFAOYSA-N
MW447.31 g/mol
LogP4.19
Rot. Bonds6

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

2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide (PubChem CID 92645210) has the molecular formula C18H15BrN4O3S and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide
PubChem CID92645210
Molecular FormulaC18H15BrN4O3S
Molecular Weight447.31 g/mol
Exact Mass446.00
IUPAC Name2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)c1
InChIInChI=1S/C18H15BrN4O3S/c1-11(24)20-13-6-4-5-12(9-13)17-22-23-18(26-17)27-10-16(25)21-15-8-3-2-7-14(15)19/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyGGIHZPCGUDEJTG-UHFFFAOYSA-N
XLogP4.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 8708504
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
N-(2-bromophenyl)-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1432792
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
2-[[5-(3-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromophenyl)acetamide
CID 92645362
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
N-(3-ethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4541502
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
N-(2-methoxyphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1117444
N-(2,3,4,5,6-pentabromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4118714

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide (CID 92645210) is 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide is CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)c1.
What is the InChIKey of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide?
The InChIKey is GGIHZPCGUDEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3S/c1-11(24)20-13-6-4-5-12(9-13)17-22-23-18(26-17)27-10-16(25)21-15-8-3-2-7-14(15)19/h2-9H,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide?
2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide has a molecular weight of 447.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 92645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).