2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide

C17H17N3O5S — CID 19259934

IUPAC2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(N)=O
InChIInChI=1S/C17H17N3O5S/c1-19(10-12-5-3-2-4-6-12)26(23,24)13-7-8-14-15(9-13)25-17(22)20(14)11-16(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyVPAPKZICGMLYIR-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.90
Rot. Bonds6

About 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide

2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide (PubChem CID 19259934) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
PubChem CID19259934
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(N)=O
InChIInChI=1S/C17H17N3O5S/c1-19(10-12-5-3-2-4-6-12)26(23,24)13-7-8-14-15(9-13)25-17(22)20(14)11-16(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyVPAPKZICGMLYIR-UHFFFAOYSA-N
XLogP0.90
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
methyl 2-[6-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051865
N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677099
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53075048
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057
methyl 2-[6-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 95063559
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
CID 18590145

Frequently Asked Questions

What is the IUPAC name of 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The IUPAC name of 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide (CID 19259934) is 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide.
What is the SMILES notation for 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The canonical SMILES for 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(N)=O.
What is the InChIKey of 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The InChIKey is VPAPKZICGMLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-19(10-12-5-3-2-4-6-12)26(23,24)13-7-8-14-15(9-13)25-17(22)20(14)11-16(18)21/h2-9H,10-11H2,1H3,(H2,18,21).
What are the key properties of 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide?
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide has a molecular weight of 375.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 19259934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).