[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C20H24N2O5S — CID 7414480

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCC1
InChIInChI=1S/C20H24N2O5S/c23-19(22-17-7-3-4-8-17)14-27-20(24)11-12-21-28(25,26)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,5-6,9-10,13,17,21H,3-4,7-8,11-12,14H2,(H,22,23)
InChIKeyHCLKLOGEXCSCIH-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.11
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7414480) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID7414480
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCC1
InChIInChI=1S/C20H24N2O5S/c23-19(22-17-7-3-4-8-17)14-27-20(24)11-12-21-28(25,26)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,5-6,9-10,13,17,21H,3-4,7-8,11-12,14H2,(H,22,23)
InChIKeyHCLKLOGEXCSCIH-UHFFFAOYSA-N
XLogP2.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414454
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
[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
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 7414480) is [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is O=C(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is HCLKLOGEXCSCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c23-19(22-17-7-3-4-8-17)14-27-20(24)11-12-21-28(25,26)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,5-6,9-10,13,17,21H,3-4,7-8,11-12,14H2,(H,22,23).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 404.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7414480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).