methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate

C17H19NO4S — CID 175235038

IUPACmethyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC=Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO4S/c1-22-17(19)11-12-18-23(20,21)13-5-9-15-8-4-7-14-6-2-3-10-16(14)15/h2-10,18H,11-13H2,1H3
InChIKeyHQMXPGGGWLZPBX-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.34
Rot. Bonds7

About methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate

methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate (PubChem CID 175235038) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate
PubChem CID175235038
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC=Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO4S/c1-22-17(19)11-12-18-23(20,21)13-5-9-15-8-4-7-14-6-2-3-10-16(14)15/h2-10,18H,11-13H2,1H3
InChIKeyHQMXPGGGWLZPBX-UHFFFAOYSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate (CID 175235038) is methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate is COC(=O)CCNS(=O)(=O)CC=Cc1cccc2ccccc12.
What is the InChIKey of methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate?
The InChIKey is HQMXPGGGWLZPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-17(19)11-12-18-23(20,21)13-5-9-15-8-4-7-14-6-2-3-10-16(14)15/h2-10,18H,11-13H2,1H3.
What are the key properties of methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate?
methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate has a molecular weight of 333.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-naphthalen-1-ylprop-2-enylsulfonylamino)propanoate is sourced from PubChem (CID 175235038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).