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

C16H13BrN4O4S2 — CID 162653754

IUPACN-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H13BrN4O4S2/c17-11-3-5-12(6-4-11)19-14(22)9-26-16-21-20-15(25-16)10-1-7-13(8-2-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24)
InChIKeyCNVIWWXAJYNTGW-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.88
Rot. Bonds6

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

N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 162653754) has the molecular formula C16H13BrN4O4S2 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID162653754
Molecular FormulaC16H13BrN4O4S2
Molecular Weight469.34 g/mol
Exact Mass467.96
IUPAC NameN-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C16H13BrN4O4S2/c17-11-3-5-12(6-4-11)19-14(22)9-26-16-21-20-15(25-16)10-1-7-13(8-2-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24)
InChIKeyCNVIWWXAJYNTGW-UHFFFAOYSA-N
XLogP2.88
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4830074
N-(3,5-Dimethyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 647708
N-(3-Acetyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 648484
N-(3,4-dimethylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 650562
N-[4-(Azepane-1-sulfonyl)-phenyl]-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 652681
N-(4-Diethylsulfamoyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 653085
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(4-bromophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1112655
N-(4-fluorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654093
N-(4-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162655195
N-(3-nitrophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162658584
N-(4-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660683

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 162653754) is N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CNVIWWXAJYNTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O4S2/c17-11-3-5-12(6-4-11)19-14(22)9-26-16-21-20-15(25-16)10-1-7-13(8-2-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24).
What are the key properties of N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 469.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 162653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).