[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate

C22H26N2O5S — CID 55523885

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-15(2)24-30(27,28)19-12-10-18(11-13-19)22(26)29-14-20(25)23-21(17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,15,17,21,24H,8-9,14H2,1-2H3,(H,23,25)
InChIKeyWIOXYEOSGWOBOZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.80
Rot. Bonds9

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate (PubChem CID 55523885) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
PubChem CID55523885
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-15(2)24-30(27,28)19-12-10-18(11-13-19)22(26)29-14-20(25)23-21(17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,15,17,21,24H,8-9,14H2,1-2H3,(H,23,25)
InChIKeyWIOXYEOSGWOBOZ-UHFFFAOYSA-N
XLogP2.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 55524851
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 55523607
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55524939
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 46818823
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4265930
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate (CID 55523885) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is WIOXYEOSGWOBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-15(2)24-30(27,28)19-12-10-18(11-13-19)22(26)29-14-20(25)23-21(17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,15,17,21,24H,8-9,14H2,1-2H3,(H,23,25).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 430.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 55523885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).