2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide

C11H14N2O5S — CID 110411265

IUPAC2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O5S/c1-13-9-4-3-8(7-10(9)18-11(13)14)12-19(15,16)6-5-17-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyKSYJNGRPRCGEDA-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.52
Rot. Bonds5

About 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide

2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide (PubChem CID 110411265) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
PubChem CID110411265
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O5S/c1-13-9-4-3-8(7-10(9)18-11(13)14)12-19(15,16)6-5-17-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyKSYJNGRPRCGEDA-UHFFFAOYSA-N
XLogP0.52
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
CID 110608285
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
CID 19993455
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide (CID 110411265) is 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide is COCCS(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide?
The InChIKey is KSYJNGRPRCGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-13-9-4-3-8(7-10(9)18-11(13)14)12-19(15,16)6-5-17-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide?
2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide has a molecular weight of 286.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide is sourced from PubChem (CID 110411265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).