[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate

C22H22N2O5S — CID 55326484

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)OC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H22N2O5S/c1-15(24-30(27,28)18-11-4-3-5-12-18)22(26)29-16(2)21(25)23-20-14-8-10-17-9-6-7-13-19(17)20/h3-16,24H,1-2H3,(H,23,25)
InChIKeyWVSPYQUCDGHRIE-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.08
Rot. Bonds7

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate (PubChem CID 55326484) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
PubChem CID55326484
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)OC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H22N2O5S/c1-15(24-30(27,28)18-11-4-3-5-12-18)22(26)29-16(2)21(25)23-20-14-8-10-17-9-6-7-13-19(17)20/h3-16,24H,1-2H3,(H,23,25)
InChIKeyWVSPYQUCDGHRIE-UHFFFAOYSA-N
XLogP3.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55323986
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
CID 55326441
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] (2S)-2-(benzenesulfonamido)propanoate
CID 55941904
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323696
(1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928591
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939352
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2-[(4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 43891455
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate (CID 55326484) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate is CC(NS(=O)(=O)c1ccccc1)C(=O)OC(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate?
The InChIKey is WVSPYQUCDGHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15(24-30(27,28)18-11-4-3-5-12-18)22(26)29-16(2)21(25)23-20-14-8-10-17-9-6-7-13-19(17)20/h3-16,24H,1-2H3,(H,23,25).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate has a molecular weight of 426.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 55326484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).