[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C19H21N3O6S — CID 8986880

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H21N3O6S/c1-13(18(24)22-11-10-20-19(22)25)28-17(23)8-9-21-29(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyMLIFKWGOFCCMSP-ZDUSSCGKSA-N
MW419.46 g/mol
LogP0.99
Rot. Bonds7

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 8986880) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID8986880
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H21N3O6S/c1-13(18(24)22-11-10-20-19(22)25)28-17(23)8-9-21-29(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyMLIFKWGOFCCMSP-ZDUSSCGKSA-N
XLogP0.99
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414454
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 55421930
1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8692344
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987332
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 8986880) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is MLIFKWGOFCCMSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13(18(24)22-11-10-20-19(22)25)28-17(23)8-9-21-29(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 419.46 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 8986880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).