[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C17H22N2O6S — CID 4854139

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C17H22N2O6S/c1-12-2-5-14(26(22,23)19-6-8-24-9-7-19)10-15(12)17(21)25-11-16(20)18-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyIQKFJFDLYQGJHQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.45
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 4854139) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID4854139
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C17H22N2O6S/c1-12-2-5-14(26(22,23)19-6-8-24-9-7-19)10-15(12)17(21)25-11-16(20)18-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyIQKFJFDLYQGJHQ-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
Methyl 1-[2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3367827
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3896394
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4845870
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 5094837
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2417632
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433703
[2-(Benzylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2465012

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 4854139) is [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is IQKFJFDLYQGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-12-2-5-14(26(22,23)19-6-8-24-9-7-19)10-15(12)17(21)25-11-16(20)18-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 382.44 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4854139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).