[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate

C17H22FNO5S — CID 7651227

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESO=C(COC(=O)CCS(=O)(=O)c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C17H22FNO5S/c18-13-6-8-15(9-7-13)25(22,23)11-10-17(21)24-12-16(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,20)
InChIKeyKFBXOHQNGXLMIL-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.98
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate

[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (PubChem CID 7651227) has the molecular formula C17H22FNO5S and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
PubChem CID7651227
Molecular FormulaC17H22FNO5S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESO=C(COC(=O)CCS(=O)(=O)c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C17H22FNO5S/c18-13-6-8-15(9-7-13)25(22,23)11-10-17(21)24-12-16(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,20)
InChIKeyKFBXOHQNGXLMIL-UHFFFAOYSA-N
XLogP1.98
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2379633
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496039
Ethyl 2-((2-((4-fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)amino)-2-oxoacetate
CID 18574196
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 24982898
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 25163570
[2-(Cyclopropylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 4857152
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16289865
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495864
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495967
Ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 47069933

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (CID 7651227) is [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate is O=C(COC(=O)CCS(=O)(=O)c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The InChIKey is KFBXOHQNGXLMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO5S/c18-13-6-8-15(9-7-13)25(22,23)11-10-17(21)24-12-16(20)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
[2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate has a molecular weight of 371.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate is sourced from PubChem (CID 7651227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).