N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C16H16N2O5S — CID 110760844

IUPACN-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H16N2O5S/c1-3-22-14-7-5-4-6-12(14)17-24(20,21)11-8-9-15-13(10-11)18(2)16(19)23-15/h4-10,17H,3H2,1-2H3
InChIKeyNUEUEOZUPKPIBC-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.33
Rot. Bonds5

About N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760844) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID110760844
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H16N2O5S/c1-3-22-14-7-5-4-6-12(14)17-24(20,21)11-8-9-15-13(10-11)18(2)16(19)23-15/h4-10,17H,3H2,1-2H3
InChIKeyNUEUEOZUPKPIBC-UHFFFAOYSA-N
XLogP2.33
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 170286220
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 110760844) is N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is NUEUEOZUPKPIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-3-22-14-7-5-4-6-12(14)17-24(20,21)11-8-9-15-13(10-11)18(2)16(19)23-15/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).