[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C17H22N2O7S — CID 2488458

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O7S/c1-24-14-5-2-12(17(21)26-11-16(20)18-13-3-4-13)10-15(14)27(22,23)19-6-8-25-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyHDVJOFJIUIWDIR-UHFFFAOYSA-N
MW398.44 g/mol
LogP0.15
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2488458) has the molecular formula C17H22N2O7S and a molecular weight of 398.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID2488458
Molecular FormulaC17H22N2O7S
Molecular Weight398.44 g/mol
Exact Mass398.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O7S/c1-24-14-5-2-12(17(21)26-11-16(20)18-13-3-4-13)10-15(14)27(22,23)19-6-8-25-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyHDVJOFJIUIWDIR-UHFFFAOYSA-N
XLogP0.15
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4845868
4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1107085
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
[2-(Cyclopropylamino)-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 2585914
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6217647
(4-Methylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 7438553
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 24982903
N-(cyclohexylmethyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2083235
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4374114
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 3992720
(2-Morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4843192

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 2488458) is [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is HDVJOFJIUIWDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S/c1-24-14-5-2-12(17(21)26-11-16(20)18-13-3-4-13)10-15(14)27(22,23)19-6-8-25-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 398.44 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2488458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).