2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide

C24H23N3O5S — CID 20879581

IUPAC2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H23N3O5S/c1-16-10-17(2)12-19(11-16)26-23(28)15-27-21-9-8-20(13-22(21)32-24(27)29)33(30,31)25-14-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)
InChIKeyGNIMTDOMUJSNJK-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.33
Rot. Bonds7

About 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide

2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 20879581) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID20879581
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H23N3O5S/c1-16-10-17(2)12-19(11-16)26-23(28)15-27-21-9-8-20(13-22(21)32-24(27)29)33(30,31)25-14-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)
InChIKeyGNIMTDOMUJSNJK-UHFFFAOYSA-N
XLogP3.33
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20879583
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
CID 19260047
methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051909
methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 95063550
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
N-[(4-methylphenyl)methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126458519
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20879555
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
N-(2-chlorophenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260081
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057

Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide (CID 20879581) is 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)c1.
What is the InChIKey of 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is GNIMTDOMUJSNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-16-10-17(2)12-19(11-16)26-23(28)15-27-21-9-8-20(13-22(21)32-24(27)29)33(30,31)25-14-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 465.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 20879581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).