[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate

C22H28N2O5S — CID 46811420

IUPAC[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-5-16(2)23-30(27,28)20-13-11-19(12-14-20)22(26)29-15-21(25)24(4)17(3)18-9-7-6-8-10-18/h6-14,16-17,23H,5,15H2,1-4H3
InChIKeyMVGONSPUTBJSAP-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.14
Rot. Bonds9

About [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate (PubChem CID 46811420) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
PubChem CID46811420
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O5S/c1-5-16(2)23-30(27,28)20-13-11-19(12-14-20)22(26)29-15-21(25)24(4)17(3)18-9-7-6-8-10-18/h6-14,16-17,23H,5,15H2,1-4H3
InChIKeyMVGONSPUTBJSAP-UHFFFAOYSA-N
XLogP3.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 9457782
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 46810880
[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828228
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-prop-2-enoxybenzoate
CID 55570576
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 43051091
[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8857915
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 9457015
[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
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate?
The IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate (CID 46811420) is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate is CCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)C(C)c2ccccc2)cc1.
What is the InChIKey of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate?
The InChIKey is MVGONSPUTBJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-5-16(2)23-30(27,28)20-13-11-19(12-14-20)22(26)29-15-21(25)24(4)17(3)18-9-7-6-8-10-18/h6-14,16-17,23H,5,15H2,1-4H3.
What are the key properties of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate?
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate has a molecular weight of 432.54 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 46811420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).