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

C17H22N2O6S — CID 24978923

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O6S/c20-16(12-25-17(21)13-3-1-4-13)18-14-5-2-6-15(11-14)26(22,23)19-7-9-24-10-8-19/h2,5-6,11,13H,1,3-4,7-10,12H2,(H,18,20)
InChIKeyBPFRQFFCLPISLX-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.99
Rot. Bonds6

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

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 24978923) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID24978923
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O6S/c20-16(12-25-17(21)13-3-1-4-13)18-14-5-2-6-15(11-14)26(22,23)19-7-9-24-10-8-19/h2,5-6,11,13H,1,3-4,7-10,12H2,(H,18,20)
InChIKeyBPFRQFFCLPISLX-UHFFFAOYSA-N
XLogP0.99
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 3155133
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
[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] 6-oxo-1H-pyridine-3-carboxylate
CID 3446135
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4036552
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7873214

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 24978923) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is BPFRQFFCLPISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c20-16(12-25-17(21)13-3-1-4-13)18-14-5-2-6-15(11-14)26(22,23)19-7-9-24-10-8-19/h2,5-6,11,13H,1,3-4,7-10,12H2,(H,18,20).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 382.44 g/mol, XLogP of 0.99, 6 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] cyclobutanecarboxylate is sourced from PubChem (CID 24978923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).