(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid

C22H18N2O4S — CID 20577822

IUPAC(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C22H18N2O4S/c25-22(26)19(14-15-10-11-16-5-1-2-6-18(16)13-15)24-29(27,28)20-9-3-7-17-8-4-12-23-21(17)20/h1-13,19,24H,14H2,(H,25,26)/t19-/m0/s1
InChIKeyVTMXDSPWDAXBEN-IBGZPJMESA-N
MW406.46 g/mol
LogP3.36
Rot. Bonds6

About (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid

(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid (PubChem CID 20577822) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
PubChem CID20577822
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C22H18N2O4S/c25-22(26)19(14-15-10-11-16-5-1-2-6-18(16)13-15)24-29(27,28)20-9-3-7-17-8-4-12-23-21(17)20/h1-13,19,24H,14H2,(H,25,26)/t19-/m0/s1
InChIKeyVTMXDSPWDAXBEN-IBGZPJMESA-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 (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid (CID 20577822) is (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid is O=C(O)[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid?
The InChIKey is VTMXDSPWDAXBEN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H18N2O4S/c25-22(26)19(14-15-10-11-16-5-1-2-6-18(16)13-15)24-29(27,28)20-9-3-7-17-8-4-12-23-21(17)20/h1-13,19,24H,14H2,(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid?
(2S)-3-naphthalen-2-yl-2-(quinolin-8-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 (2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 20577822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).