N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C19H20N4O5S — CID 3989190

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H20N4O5S/c1-13-4-9-16(29(25,26)23(2)3)10-17(13)21-18(24)11-27-15-7-5-14(6-8-15)19-22-20-12-28-19/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyLWYMYUGYWVFDCU-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.31
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 3989190) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID3989190
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H20N4O5S/c1-13-4-9-16(29(25,26)23(2)3)10-17(13)21-18(24)11-27-15-7-5-14(6-8-15)19-22-20-12-28-19/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyLWYMYUGYWVFDCU-UHFFFAOYSA-N
XLogP2.31
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 3989190) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is LWYMYUGYWVFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-13-4-9-16(29(25,26)23(2)3)10-17(13)21-18(24)11-27-15-7-5-14(6-8-15)19-22-20-12-28-19/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 416.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 3989190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).