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

C16H14N4O5S2 — CID 135693224

IUPAC2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C16H14N4O5S2/c17-27(23,24)13-7-3-11(4-8-13)18-14(22)9-26-16-20-19-15(25-16)10-1-5-12(21)6-2-10/h1-8,21H,9H2,(H,18,22)(H2,17,23,24)
InChIKeyDJVAVIHLMAATSN-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.82
Rot. Bonds6

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

2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 135693224) has the molecular formula C16H14N4O5S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID135693224
Molecular FormulaC16H14N4O5S2
Molecular Weight406.45 g/mol
Exact Mass406.04
IUPAC Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C16H14N4O5S2/c17-27(23,24)13-7-3-11(4-8-13)18-14(22)9-26-16-20-19-15(25-16)10-1-5-12(21)6-2-10/h1-8,21H,9H2,(H,18,22)(H2,17,23,24)
InChIKeyDJVAVIHLMAATSN-UHFFFAOYSA-N
XLogP1.82
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide with MolForge

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Related Compounds

2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CID 855986
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4830074
N-(3-Hydroxy-phenyl)-2-[5-(4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 135693227
N-(4-Diethylsulfamoyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 653085
3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
CID 1940495
2-[5-(4-hydroxyphenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(4-methylphenyl)propanamid e
CID 3165931
N-(4-fluorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654093
N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654855
N-(4-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660683
N-phenyl-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162666875
N-(2-bromophenyl)-2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1125194
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CID 1167992

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 135693224) is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)cc1.
What is the InChIKey of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is DJVAVIHLMAATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S2/c17-27(23,24)13-7-3-11(4-8-13)18-14(22)9-26-16-20-19-15(25-16)10-1-5-12(21)6-2-10/h1-8,21H,9H2,(H,18,22)(H2,17,23,24).
What are the key properties of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 406.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135693224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).