naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

C20H18FNO4S — CID 8936257

IUPACnaphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H18FNO4S/c1-14(22-27(24,25)18-11-9-17(21)10-12-18)20(23)26-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyMQOFMWBMLHBGTI-AWEZNQCLSA-N
MW387.43 g/mol
LogP3.39
Rot. Bonds6

About naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 8936257) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
PubChem CID8936257
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Namenaphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C20H18FNO4S/c1-14(22-27(24,25)18-11-9-17(21)10-12-18)20(23)26-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyMQOFMWBMLHBGTI-AWEZNQCLSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate
CID 7624005
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609014
(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 8842049
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
[(1R)-1-cyanoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609271
(2-cyanophenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 8941440
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936166
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267
(2,3,4,5,6-pentafluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 42902975
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
CID 55326484
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide
CID 68543203

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (CID 8936257) is naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is MQOFMWBMLHBGTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-14(22-27(24,25)18-11-9-17(21)10-12-18)20(23)26-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14,22H,13H2,1H3/t14-/m0/s1.
What are the key properties of naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 387.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8936257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).