[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

C15H19FN2O6S — CID 7883785

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C15H19FN2O6S/c16-11-5-7-13(8-6-11)25(21,22)18-24-10-15(20)23-9-14(19)17-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H,17,19)
InChIKeyIVQAYFTZWDUTPK-UHFFFAOYSA-N
MW374.39 g/mol
LogP0.64
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (PubChem CID 7883785) has the molecular formula C15H19FN2O6S and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
PubChem CID7883785
Molecular FormulaC15H19FN2O6S
Molecular Weight374.39 g/mol
Exact Mass374.09
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C15H19FN2O6S/c16-11-5-7-13(8-6-11)25(21,22)18-24-10-15(20)23-9-14(19)17-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H,17,19)
InChIKeyIVQAYFTZWDUTPK-UHFFFAOYSA-N
XLogP0.64
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 11918196
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954163
[2-(cyclopropylamino)-2-oxoethyl] 3,5-bis[(4-fluorophenyl)sulfonylamino]benzoate
CID 25040685
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883765
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883762
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (CID 7883785) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is O=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The InChIKey is IVQAYFTZWDUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O6S/c16-11-5-7-13(8-6-11)25(21,22)18-24-10-15(20)23-9-14(19)17-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H,17,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate has a molecular weight of 374.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is sourced from PubChem (CID 7883785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).