[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C24H25N3O6S — CID 55421930

IUPAC[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-17(23(29)27-24(30)25-16-18-7-3-2-4-8-18)33-22(28)13-14-26-34(31,32)21-12-11-19-9-5-6-10-20(19)15-21/h2-12,15,17,26H,13-14,16H2,1H3,(H2,25,27,29,30)
InChIKeyNNUDDOUUSBWOIL-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.47
Rot. Bonds9

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 55421930) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID55421930
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-17(23(29)27-24(30)25-16-18-7-3-2-4-8-18)33-22(28)13-14-26-34(31,32)21-12-11-19-9-5-6-10-20(19)15-21/h2-12,15,17,26H,13-14,16H2,1H3,(H2,25,27,29,30)
InChIKeyNNUDDOUUSBWOIL-UHFFFAOYSA-N
XLogP2.47
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575873
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 8880063
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55425396
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
CID 46522158
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8986880
N-methyl-4-[[3-(naphthalen-2-ylsulfonylamino)propanoylamino]methyl]-N-propan-2-ylbenzamide
CID 55636084
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 55421930) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is CC(OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is NNUDDOUUSBWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-17(23(29)27-24(30)25-16-18-7-3-2-4-8-18)33-22(28)13-14-26-34(31,32)21-12-11-19-9-5-6-10-20(19)15-21/h2-12,15,17,26H,13-14,16H2,1H3,(H2,25,27,29,30).
What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 483.55 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 55421930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).