[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C22H26N2O5S — CID 16560413

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCCN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C1=CCCC1
InChIInChI=1S/C22H26N2O5S/c1-2-24(19-9-5-6-10-19)21(25)16-29-22(26)13-14-23-30(27,28)20-12-11-17-7-3-4-8-18(17)15-20/h3-4,7-9,11-12,15,23H,2,5-6,10,13-14,16H2,1H3
InChIKeyZSYYSGXFFQEEHH-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.97
Rot. Bonds9

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 16560413) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID16560413
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCCN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C1=CCCC1
InChIInChI=1S/C22H26N2O5S/c1-2-24(19-9-5-6-10-19)21(25)16-29-22(26)13-14-23-30(27,28)20-12-11-17-7-3-4-8-18(17)15-20/h3-4,7-9,11-12,15,23H,2,5-6,10,13-14,16H2,1H3
InChIKeyZSYYSGXFFQEEHH-UHFFFAOYSA-N
XLogP2.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 31436406
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 42982393
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 16560413) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is CCN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is ZSYYSGXFFQEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-24(19-9-5-6-10-19)21(25)16-29-22(26)13-14-23-30(27,28)20-12-11-17-7-3-4-8-18(17)15-20/h3-4,7-9,11-12,15,23H,2,5-6,10,13-14,16H2,1H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 430.53 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 16560413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).