[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate

C17H26N2O5S — CID 7828228

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N2O5S/c1-5-13(4)19-25(22,23)15-8-6-14(7-9-15)17(21)24-11-16(20)18-10-12(2)3/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,18,20)/t13-/m1/s1
InChIKeyJVZJKNRJYRGEPB-CYBMUJFWSA-N
MW370.47 g/mol
LogP1.69
Rot. Bonds9

About [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate

[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate (PubChem CID 7828228) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
PubChem CID7828228
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N2O5S/c1-5-13(4)19-25(22,23)15-8-6-14(7-9-15)17(21)24-11-16(20)18-10-12(2)3/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,18,20)/t13-/m1/s1
InChIKeyJVZJKNRJYRGEPB-CYBMUJFWSA-N
XLogP1.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8568379
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 46793607
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828203
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828201
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 42984824
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 46811420
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8641565

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate (CID 7828228) is [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate?
The InChIKey is JVZJKNRJYRGEPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-13(4)19-25(22,23)15-8-6-14(7-9-15)17(21)24-11-16(20)18-10-12(2)3/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,18,20)/t13-/m1/s1.
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate has a molecular weight of 370.47 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 7828228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).