[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

C16H21FN2O5S — CID 7961771

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C16H21FN2O5S/c17-12-5-4-8-14(9-12)25(22,23)18-10-16(21)24-11-15(20)19-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyVEIVFYPKBLQJPN-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.10
Rot. Bonds7

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

[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (PubChem CID 7961771) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
PubChem CID7961771
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C16H21FN2O5S/c17-12-5-4-8-14(9-12)25(22,23)18-10-16(21)24-11-15(20)19-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyVEIVFYPKBLQJPN-UHFFFAOYSA-N
XLogP1.10
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 8600824
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961583
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954163
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883785
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (CID 7961771) is [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is VEIVFYPKBLQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c17-12-5-4-8-14(9-12)25(22,23)18-10-16(21)24-11-15(20)19-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-11H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 372.42 g/mol, XLogP of 1.10, 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-[(3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).