2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide

C19H21N3O5S — CID 19259989

IUPAC2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C
InChIInChI=1S/C19H21N3O5S/c1-4-22(14-8-6-5-7-9-14)28(25,26)15-10-11-16-17(12-15)27-19(24)21(16)13-18(23)20(2)3/h5-12H,4,13H2,1-3H3
InChIKeyMLEVXHKWZHGZGY-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.90
Rot. Bonds6

About 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide

2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide (PubChem CID 19259989) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
PubChem CID19259989
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C
InChIInChI=1S/C19H21N3O5S/c1-4-22(14-8-6-5-7-9-14)28(25,26)15-10-11-16-17(12-15)27-19(24)21(16)13-18(23)20(2)3/h5-12H,4,13H2,1-3H3
InChIKeyMLEVXHKWZHGZGY-UHFFFAOYSA-N
XLogP1.90
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate
CID 19260029
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
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
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-N,N-diethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 19259699
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
CID 19260047
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419

Frequently Asked Questions

What is the IUPAC name of 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide (CID 19259989) is 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C.
What is the InChIKey of 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide?
The InChIKey is MLEVXHKWZHGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-4-22(14-8-6-5-7-9-14)28(25,26)15-10-11-16-17(12-15)27-19(24)21(16)13-18(23)20(2)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide?
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide has a molecular weight of 403.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 19259989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).