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

C17H22ClNO5S — CID 2379633

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
SMILESO=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C17H22ClNO5S/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)
InChIKeyLDOZPHFYCDEITF-UHFFFAOYSA-N
MW387.89 g/mol
LogP2.50
Rot. Bonds7

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

[2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate (PubChem CID 2379633) has the molecular formula C17H22ClNO5S and a molecular weight of 387.89 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
PubChem CID2379633
Molecular FormulaC17H22ClNO5S
Molecular Weight387.89 g/mol
Exact Mass387.09
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
SMILESO=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C17H22ClNO5S/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)
InChIKeyLDOZPHFYCDEITF-UHFFFAOYSA-N
XLogP2.50
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate (CID 2379633) is [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate is O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The InChIKey is LDOZPHFYCDEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO5S/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-chlorophenyl)sulfonylpropanoate?
[2-(cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate has a molecular weight of 387.89 g/mol, XLogP of 2.50, 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-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 2379633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).