[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C17H20N2O5S — CID 7806952

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCN(C)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O5S/c1-19(2)16(20)12-24-17(21)9-10-18-25(22,23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyJXGXKOJTNBDNTL-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.14
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7806952) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID7806952
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCN(C)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O5S/c1-19(2)16(20)12-24-17(21)9-10-18-25(22,23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyJXGXKOJTNBDNTL-UHFFFAOYSA-N
XLogP1.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 31436406
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16560413
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[2-(3-fluorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8676628
[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

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 7806952) is [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is CN(C)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is JXGXKOJTNBDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-19(2)16(20)12-24-17(21)9-10-18-25(22,23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 364.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7806952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).