[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

C19H28N2O5S — CID 7828322

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-14(2)21-27(24,25)17-11-9-15(10-12-17)19(23)26-13-18(22)20-16-7-5-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyBLYPMWYKPRCVKR-AWEZNQCLSA-N
MW396.51 g/mol
LogP2.37
Rot. Bonds8

About [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate (PubChem CID 7828322) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
PubChem CID7828322
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-14(2)21-27(24,25)17-11-9-15(10-12-17)19(23)26-13-18(22)20-16-7-5-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyBLYPMWYKPRCVKR-AWEZNQCLSA-N
XLogP2.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954900
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8954903
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
[2-(2-methylpropylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828228
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(butan-2-ylsulfamoyl)benzoate
CID 46793607
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8568379
[2-(cyclopentylamino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828443
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate (CID 7828322) is [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate is CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate?
The InChIKey is BLYPMWYKPRCVKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-14(2)21-27(24,25)17-11-9-15(10-12-17)19(23)26-13-18(22)20-16-7-5-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate?
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate has a molecular weight of 396.51 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 7828322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).