[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate

C16H21ClN2O5S — CID 2450166

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O5S/c17-12-6-8-14(9-7-12)25(22,23)18-10-16(21)24-11-15(20)19-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-11H2,(H,19,20)
InChIKeyXMZJFVVWAMXERY-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.61
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate (PubChem CID 2450166) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate
PubChem CID2450166
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O5S/c17-12-6-8-14(9-7-12)25(22,23)18-10-16(21)24-11-15(20)19-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-11H2,(H,19,20)
InChIKeyXMZJFVVWAMXERY-UHFFFAOYSA-N
XLogP1.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7869973
[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2379633
(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2998091
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4353476
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 15945120
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2388239
N-((4-Chlorophenyl)sulfonyl)-N-methylglycine 2-amino-2-oxoethyl ester
CID 2429069
[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 16243064
[2-(Benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2417702
2-{[(4-chlorophenyl)sulfonyl]amino}-N-cyclohexylacetamide
CID 4800085
[2-(cyclopropylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11920323

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate (CID 2450166) is [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate?
The InChIKey is XMZJFVVWAMXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-12-6-8-14(9-7-12)25(22,23)18-10-16(21)24-11-15(20)19-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-11H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate has a molecular weight of 388.87 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2450166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).