2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide

C21H19N3O5S — CID 19260057

IUPAC2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H19N3O5S/c1-23(2)30(27,28)15-10-11-18-19(12-15)29-21(26)24(18)13-20(25)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyPZYBULKSORQCDQ-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.64
Rot. Bonds5

About 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide

2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide (PubChem CID 19260057) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
PubChem CID19260057
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H19N3O5S/c1-23(2)30(27,28)15-10-11-18-19(12-15)29-21(26)24(18)13-20(25)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyPZYBULKSORQCDQ-UHFFFAOYSA-N
XLogP2.64
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
CID 19260047
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-(2-chlorophenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260081
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 23603550
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 2504240
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
N-(2,3-dimethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868479
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 45106325
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide (CID 19260057) is 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide is CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is PZYBULKSORQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-23(2)30(27,28)15-10-11-18-19(12-15)29-21(26)24(18)13-20(25)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide?
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 425.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 19260057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).