3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid

C22H18N2O4S — CID 23018405

IUPAC3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2O4S/c25-22(26)21(13-15-7-8-16-4-1-2-5-17(16)12-15)24-29(27,28)19-9-10-20-18(14-19)6-3-11-23-20/h1-12,14,21,24H,13H2,(H,25,26)
InChIKeyMSADPJFSODNRSR-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.36
Rot. Bonds6

About 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid

3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid (PubChem CID 23018405) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid
PubChem CID23018405
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2O4S/c25-22(26)21(13-15-7-8-16-4-1-2-5-17(16)12-15)24-29(27,28)19-9-10-20-18(14-19)6-3-11-23-20/h1-12,14,21,24H,13H2,(H,25,26)
InChIKeyMSADPJFSODNRSR-UHFFFAOYSA-N
XLogP3.36
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid (CID 23018405) is 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid is O=C(O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ncccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid?
The InChIKey is MSADPJFSODNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c25-22(26)21(13-15-7-8-16-4-1-2-5-17(16)12-15)24-29(27,28)19-9-10-20-18(14-19)6-3-11-23-20/h1-12,14,21,24H,13H2,(H,25,26).
What are the key properties of 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid?
3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid has a molecular weight of 406.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 23018405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).