[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C22H22N2O5S — CID 2499700

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H22N2O5S/c1-16(17-7-3-2-4-8-17)24-21(25)15-29-22(26)14-23-30(27,28)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,16,23H,14-15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyLPNADKNODRQBAR-INIZCTEOSA-N
MW426.49 g/mol
LogP2.54
Rot. Bonds8

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2499700) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2499700
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H22N2O5S/c1-16(17-7-3-2-4-8-17)24-21(25)15-29-22(26)14-23-30(27,28)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,16,23H,14-15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyLPNADKNODRQBAR-INIZCTEOSA-N
XLogP2.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate with MolForge

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 18775480
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16565170
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 55309148
dimethyl 3-methyl-5-[[2-oxo-2-[2-oxo-2-(1-phenylethylamino)ethoxy]ethyl]sulfamoyl]thiophene-2,4-dicarboxylate
CID 4830940
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234482

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2499700) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is LPNADKNODRQBAR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-16(17-7-3-2-4-8-17)24-21(25)15-29-22(26)14-23-30(27,28)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,16,23H,14-15H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 426.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2499700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).