N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide

C17H16N4O4S — CID 4894578

IUPACN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O4S/c1-12(22)19-14-7-9-15(10-8-14)26(23,24)18-11-16-20-17(21-25-16)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,22)
InChIKeyDUYYPFKUVHKFSO-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.17
Rot. Bonds6

About N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 4894578) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID4894578
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O4S/c1-12(22)19-14-7-9-15(10-8-14)26(23,24)18-11-16-20-17(21-25-16)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,22)
InChIKeyDUYYPFKUVHKFSO-UHFFFAOYSA-N
XLogP2.17
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide (CID 4894578) is N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is DUYYPFKUVHKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-12(22)19-14-7-9-15(10-8-14)26(23,24)18-11-16-20-17(21-25-16)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,22).
What are the key properties of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4894578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).