(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate

C16H17NO6S — CID 16624451

IUPAC(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO6S/c1-22-16(19)11-23-15(18)8-9-17-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyHHAXWFNAMNPMMJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.22
Rot. Bonds7

About (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate

(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 16624451) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID16624451
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO6S/c1-22-16(19)11-23-15(18)8-9-17-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyHHAXWFNAMNPMMJ-UHFFFAOYSA-N
XLogP1.22
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
[2-(3-fluorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8676628
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16565170
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
2-(2,6-dimethylphenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516055
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 16624451) is (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate is COC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is HHAXWFNAMNPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-22-16(19)11-23-15(18)8-9-17-24(20,21)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate?
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 351.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 16624451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).