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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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).