4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

C25H22N4O5S — CID 55965254

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cc(-c4nnco4)ccc3C)cc2)cc1
InChIInChI=1S/C25H22N4O5S/c1-16-3-6-21(25-29-26-15-34-25)13-23(16)28-24(31)20-7-4-18(5-8-20)14-27-35(32,33)22-11-9-19(10-12-22)17(2)30/h3-13,15,27H,14H2,1-2H3,(H,28,31)
InChIKeyPLVFOOLZJHJIMP-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.98
Rot. Bonds8

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 55965254) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID55965254
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cc(-c4nnco4)ccc3C)cc2)cc1
InChIInChI=1S/C25H22N4O5S/c1-16-3-6-21(25-29-26-15-34-25)13-23(16)28-24(31)20-7-4-18(5-8-20)14-27-35(32,33)22-11-9-19(10-12-22)17(2)30/h3-13,15,27H,14H2,1-2H3,(H,28,31)
InChIKeyPLVFOOLZJHJIMP-UHFFFAOYSA-N
XLogP3.98
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55964358
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731590
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide
CID 87045572
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
CID 75417439
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60954664
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 55965254) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cc(-c4nnco4)ccc3C)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is PLVFOOLZJHJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-16-3-6-21(25-29-26-15-34-25)13-23(16)28-24(31)20-7-4-18(5-8-20)14-27-35(32,33)22-11-9-19(10-12-22)17(2)30/h3-13,15,27H,14H2,1-2H3,(H,28,31).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 490.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55965254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).