benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate

C20H19NO4S — CID 7414463

IUPACbenzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C20H19NO4S/c22-20(25-15-16-6-2-1-3-7-16)12-13-21-26(23,24)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,14,21H,12-13,15H2
InChIKeyJGRWHTKIACWGFC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.25
Rot. Bonds7

About benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate

benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7414463) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namebenzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID7414463
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Namebenzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C20H19NO4S/c22-20(25-15-16-6-2-1-3-7-16)12-13-21-26(23,24)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,14,21H,12-13,15H2
InChIKeyJGRWHTKIACWGFC-UHFFFAOYSA-N
XLogP3.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
(4-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 7683582
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
(3-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 42981634
(3-fluoro-4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806955
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
benzyl 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoate
CID 154361009
methyl 3-[4-(naphthalen-2-ylsulfonylamino)butanoyloxymethyl]benzoate
CID 31396725
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 7414463) is benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)OCc1ccccc1.
What is the InChIKey of benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is JGRWHTKIACWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-20(25-15-16-6-2-1-3-7-16)12-13-21-26(23,24)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,14,21H,12-13,15H2.
What are the key properties of benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 369.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7414463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).