3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

C18H20N2O4S — CID 92648212

IUPAC3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C18H20N2O4S/c1-4-13-8-6-7-12(3)17(13)19-25(22,23)14-9-10-15-16(11-14)24-18(21)20(15)5-2/h6-11,19H,4-5H2,1-3H3
InChIKeyXILJAJIZYJJAIE-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.29
Rot. Bonds5

About 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648212) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID92648212
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C18H20N2O4S/c1-4-13-8-6-7-12(3)17(13)19-25(22,23)14-9-10-15-16(11-14)24-18(21)20(15)5-2/h6-11,19H,4-5H2,1-3H3
InChIKeyXILJAJIZYJJAIE-UHFFFAOYSA-N
XLogP3.29
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-(2,6-dimethylphenyl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 53075526
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71691359
N-(2-ethyl-6-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736009
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 92648212) is 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC.
What is the InChIKey of 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XILJAJIZYJJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-13-8-6-7-12(3)17(13)19-25(22,23)14-9-10-15-16(11-14)24-18(21)20(15)5-2/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).