[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

C23H27FN2O5S — CID 11834464

IUPAC[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C23H27FN2O5S/c24-19-13-7-8-14-21(19)32(29,30)26-20(15-17-9-3-1-4-10-17)23(28)31-16-22(27)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20,26H,2,5-6,11-12,15-16H2,(H,25,27)/t20-/m0/s1
InChIKeyBNEZTBCMTZDSLS-FQEVSTJZSA-N
MW462.54 g/mol
LogP2.71
Rot. Bonds9

About [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 11834464) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID11834464
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C23H27FN2O5S/c24-19-13-7-8-14-21(19)32(29,30)26-20(15-17-9-3-1-4-10-17)23(28)31-16-22(27)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20,26H,2,5-6,11-12,15-16H2,(H,25,27)/t20-/m0/s1
InChIKeyBNEZTBCMTZDSLS-FQEVSTJZSA-N
XLogP2.71
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 18205594
1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(4-fluoro-phenyl)-propyl ester
CID 44280919
2-[(Cyclohexanecarbonyl)amino]-2-oxoethyl N-(4-methylbenzene-1-sulfonyl)-L-valinate
CID 16242555
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
[2-(Cycloheptylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4624678
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 25163544
(2-Amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2999974
[2-(Benzylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4125145
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5060571
[2-(Benzylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848979

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate (CID 11834464) is [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate is O=C(COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is BNEZTBCMTZDSLS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c24-19-13-7-8-14-21(19)32(29,30)26-20(15-17-9-3-1-4-10-17)23(28)31-16-22(27)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20,26H,2,5-6,11-12,15-16H2,(H,25,27)/t20-/m0/s1.
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 462.54 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 11834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).