cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate

C15H14N2O4S — CID 7414466

IUPACcyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESN#CCOC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4S/c16-8-10-21-15(18)7-9-17-22(19,20)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,17H,7,9-10H2
InChIKeyUENFQQYSFPGNJL-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.57
Rot. Bonds6

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

cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7414466) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namecyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID7414466
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namecyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESN#CCOC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4S/c16-8-10-21-15(18)7-9-17-22(19,20)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,17H,7,9-10H2
InChIKeyUENFQQYSFPGNJL-UHFFFAOYSA-N
XLogP1.57
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.57
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
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
2-(3-bromophenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516041
2-(2,6-dimethylphenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516055
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
[2-(3-fluorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8676628
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
CID 174429749

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 7414466) is cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate is N#CCOC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is UENFQQYSFPGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-8-10-21-15(18)7-9-17-22(19,20)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,17H,7,9-10H2.
What are the key properties of cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 318.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7414466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).