[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

C26H28N2O5S — CID 2433210

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C26H28N2O5S/c29-25(27-24-10-6-8-21-7-2-3-9-23(21)24)19-33-26(30)16-13-20-11-14-22(15-12-20)34(31,32)28-17-4-1-5-18-28/h2-3,6-12,14-15H,1,4-5,13,16-19H2,(H,27,29)
InChIKeyACFYWTFVDCZHJY-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.13
Rot. Bonds8

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (PubChem CID 2433210) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
PubChem CID2433210
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C26H28N2O5S/c29-25(27-24-10-6-8-21-7-2-3-9-23(21)24)19-33-26(30)16-13-20-11-14-22(15-12-20)34(31,32)28-17-4-1-5-18-28/h2-3,6-12,14-15H,1,4-5,13,16-19H2,(H,27,29)
InChIKeyACFYWTFVDCZHJY-UHFFFAOYSA-N
XLogP4.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (CID 2433210) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The InChIKey is ACFYWTFVDCZHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c29-25(27-24-10-6-8-21-7-2-3-9-23(21)24)19-33-26(30)16-13-20-11-14-22(15-12-20)34(31,32)28-17-4-1-5-18-28/h2-3,6-12,14-15H,1,4-5,13,16-19H2,(H,27,29).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate has a molecular weight of 480.59 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 2433210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).