4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C17H16N4O5S2 — CID 2057788

IUPAC4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H16N4O5S2/c22-15(18-17-20-19-16(26-17)14-2-1-11-27-14)12-3-5-13(6-4-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22)
InChIKeyWQQJILXJCLOLGG-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.07
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2057788) has the molecular formula C17H16N4O5S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2057788
Molecular FormulaC17H16N4O5S2
Molecular Weight420.47 g/mol
Exact Mass420.06
IUPAC Name4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H16N4O5S2/c22-15(18-17-20-19-16(26-17)14-2-1-11-27-14)12-3-5-13(6-4-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22)
InChIKeyWQQJILXJCLOLGG-UHFFFAOYSA-N
XLogP2.07
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(N,N-dimethylsulfamoyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051050
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2435548
N-[5-(5-chlorothien-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide
CID 2159039
4-((3,5-dimethylpiperidin-1-yl)sulfonyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3242189
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3244243
4-{[butyl(methyl)amino]sulfonyl}-N-(5-thien-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3245694
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 18560915
4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2057778
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158907
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3240162
N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)-3-tosylpropanamide
CID 7254302
N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 16830209

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2057788) is 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is WQQJILXJCLOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S2/c22-15(18-17-20-19-16(26-17)14-2-1-11-27-14)12-3-5-13(6-4-12)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 420.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2057788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).