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

C19H18N4O5S — CID 2435548

IUPAC3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O5S/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,20,22,24)
InChIKeyLQUIGTFRVPKYRG-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.01
Rot. Bonds5

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

3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2435548) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2435548
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18N4O5S/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,20,22,24)
InChIKeyLQUIGTFRVPKYRG-UHFFFAOYSA-N
XLogP2.01
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2435548) is 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LQUIGTFRVPKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-17(20-19-22-21-18(28-19)14-5-2-1-3-6-14)15-7-4-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,20,22,24).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 414.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2435548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).