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

C20H20N4O4S — CID 90562280

IUPACN-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(25)21-16-8-10-17(11-9-16)29(26,27)24-18-5-3-2-4-15(18)12-19-22-20(23-28-19)14-6-7-14/h2-5,8-11,14,24H,6-7,12H2,1H3,(H,21,25)
InChIKeyHDJWUONCORAADF-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.30
Rot. Bonds7

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

N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 90562280) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID90562280
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(25)21-16-8-10-17(11-9-16)29(26,27)24-18-5-3-2-4-15(18)12-19-22-20(23-28-19)14-6-7-14/h2-5,8-11,14,24H,6-7,12H2,1H3,(H,21,25)
InChIKeyHDJWUONCORAADF-UHFFFAOYSA-N
XLogP3.30
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide (CID 90562280) is N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is HDJWUONCORAADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13(25)21-16-8-10-17(11-9-16)29(26,27)24-18-5-3-2-4-15(18)12-19-22-20(23-28-19)14-6-7-14/h2-5,8-11,14,24H,6-7,12H2,1H3,(H,21,25).
What are the key properties of N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 90562280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).