N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide

C21H21N3O7S2 — CID 138113204

IUPACN-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(-c2conc2-c2ccc(S(=O)(=O)NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H21N3O7S2/c1-3-19(25)23-32(27,28)16-9-5-14(6-10-16)18-13-31-22-21(18)15-7-11-17(12-8-15)33(29,30)24-20(26)4-2/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHHQSBJVRJHYZEN-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.44
Rot. Bonds8

About N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide

N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide (PubChem CID 138113204) has the molecular formula C21H21N3O7S2 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide
PubChem CID138113204
Molecular FormulaC21H21N3O7S2
Molecular Weight491.55 g/mol
Exact Mass491.08
IUPAC NameN-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(-c2conc2-c2ccc(S(=O)(=O)NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H21N3O7S2/c1-3-19(25)23-32(27,28)16-9-5-14(6-10-16)18-13-31-22-21(18)15-7-11-17(12-8-15)33(29,30)24-20(26)4-2/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHHQSBJVRJHYZEN-UHFFFAOYSA-N
XLogP2.44
TPSA152.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide?
The IUPAC name of N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide (CID 138113204) is N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide?
The canonical SMILES for N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc(-c2conc2-c2ccc(S(=O)(=O)NC(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide?
The InChIKey is HHQSBJVRJHYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O7S2/c1-3-19(25)23-32(27,28)16-9-5-14(6-10-16)18-13-31-22-21(18)15-7-11-17(12-8-15)33(29,30)24-20(26)4-2/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide?
N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide has a molecular weight of 491.55 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(propanoylsulfamoyl)phenyl]-1,2-oxazol-4-yl]phenyl]sulfonylpropanamide is sourced from PubChem (CID 138113204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).