[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C20H28N2O6S — CID 4282973

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H28N2O6S/c23-19(15-28-20(24)9-8-16-4-1-2-5-16)21-17-6-3-7-18(14-17)29(25,26)22-10-12-27-13-11-22/h3,6-7,14,16H,1-2,4-5,8-13,15H2,(H,21,23)
InChIKeyLFKUBQGMRNXLEO-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.16
Rot. Bonds8

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 4282973) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID4282973
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H28N2O6S/c23-19(15-28-20(24)9-8-16-4-1-2-5-16)21-17-6-3-7-18(14-17)29(25,26)22-10-12-27-13-11-22/h3,6-7,14,16H,1-2,4-5,8-13,15H2,(H,21,23)
InChIKeyLFKUBQGMRNXLEO-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(3-piperidin-1-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3934723
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-(4-Methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 2999502
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
CID 3590788
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 4282973) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is LFKUBQGMRNXLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c23-19(15-28-20(24)9-8-16-4-1-2-5-16)21-17-6-3-7-18(14-17)29(25,26)22-10-12-27-13-11-22/h3,6-7,14,16H,1-2,4-5,8-13,15H2,(H,21,23).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 424.52 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 4282973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).