4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H19F3N4O6S — CID 5228772

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C16H19F3N4O6S/c1-27-9-7-23(8-10-28-2)30(25,26)12-5-3-11(4-6-12)13(24)20-15-22-21-14(29-15)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,22,24)
InChIKeySXHAXJKLTCNIFD-UHFFFAOYSA-N
MW452.41 g/mol
LogP1.62
Rot. Bonds10

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 5228772) has the molecular formula C16H19F3N4O6S and a molecular weight of 452.41 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID5228772
Molecular FormulaC16H19F3N4O6S
Molecular Weight452.41 g/mol
Exact Mass452.10
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C16H19F3N4O6S/c1-27-9-7-23(8-10-28-2)30(25,26)12-5-3-11(4-6-12)13(24)20-15-22-21-14(29-15)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,22,24)
InChIKeySXHAXJKLTCNIFD-UHFFFAOYSA-N
XLogP1.62
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590
N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 3541908
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028039
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155620
4-(azepan-1-ylsulfonyl)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4049893
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3291723
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4046837
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3353866

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 5228772) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)o2)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is SXHAXJKLTCNIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O6S/c1-27-9-7-23(8-10-28-2)30(25,26)12-5-3-11(4-6-12)13(24)20-15-22-21-14(29-15)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,22,24).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 452.41 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 5228772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).