[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C20H28N2O6S — CID 5060571

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1
InChIInChI=1S/C20H28N2O6S/c23-19(21-17-3-1-2-4-17)15-28-20(24)10-7-16-5-8-18(9-6-16)29(25,26)22-11-13-27-14-12-22/h5-6,8-9,17H,1-4,7,10-15H2,(H,21,23)
InChIKeyKYLYXLPVKLZBEI-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.24
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 5060571) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID5060571
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1
InChIInChI=1S/C20H28N2O6S/c23-19(21-17-3-1-2-4-17)15-28-20(24)10-7-16-5-8-18(9-6-16)29(25,26)22-11-13-27-14-12-22/h5-6,8-9,17H,1-4,7,10-15H2,(H,21,23)
InChIKeyKYLYXLPVKLZBEI-UHFFFAOYSA-N
XLogP1.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester
CID 46936196
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
N-isobutyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 1287984
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4118927
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4869668
[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 11834464
N-ethyl-4-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 2228339
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 5060571) is [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is KYLYXLPVKLZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c23-19(21-17-3-1-2-4-17)15-28-20(24)10-7-16-5-8-18(9-6-16)29(25,26)22-11-13-27-14-12-22/h5-6,8-9,17H,1-4,7,10-15H2,(H,21,23).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 424.52 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 5060571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).