[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

C20H30N2O5S — CID 9339792

IUPAC[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCCCCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H30N2O5S/c1-3-4-6-11-21-19(23)15-27-20(24)18-14-17(10-9-16(18)2)28(25,26)22-12-7-5-8-13-22/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,21,23)
InChIKeyVMMWDMRGCJODSE-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.63
Rot. Bonds9

About [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 9339792) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID9339792
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCCCCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H30N2O5S/c1-3-4-6-11-21-19(23)15-27-20(24)18-14-17(10-9-16(18)2)28(25,26)22-12-7-5-8-13-22/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,21,23)
InChIKeyVMMWDMRGCJODSE-UHFFFAOYSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 9338707
[2-oxo-2-(pentylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081458
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
1-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-pentylthiourea
CID 9220483
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2636856
[2-oxo-2-(pentylamino)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 34941271
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4842229
[2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545037
2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 55356811
[2-(2-cyanoethylamino)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 7902125
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4300054
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528817

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (CID 9339792) is [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is CCCCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is VMMWDMRGCJODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-3-4-6-11-21-19(23)15-27-20(24)18-14-17(10-9-16(18)2)28(25,26)22-12-7-5-8-13-22/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 410.54 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 9339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).