2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide

C11H14N2O4S — CID 19993455

IUPAC2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C11H14N2O4S/c1-8-12-10-7-9(3-4-11(10)17-8)13-18(14,15)6-5-16-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFJTJYVFEIMAMRU-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.52
Rot. Bonds5

About 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide

2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide (PubChem CID 19993455) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
PubChem CID19993455
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C11H14N2O4S/c1-8-12-10-7-9(3-4-11(10)17-8)13-18(14,15)6-5-16-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFJTJYVFEIMAMRU-UHFFFAOYSA-N
XLogP1.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]propanoic acid
CID 43361826
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
methyl 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanoate
CID 115128289
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
CID 110618969
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide (CID 19993455) is 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide is COCCS(=O)(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide?
The InChIKey is FJTJYVFEIMAMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8-12-10-7-9(3-4-11(10)17-8)13-18(14,15)6-5-16-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide?
2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 19993455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).