[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

C16H20FN3O6S — CID 7954163

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H20FN3O6S/c17-11-5-7-13(8-6-11)27(24,25)18-9-15(22)26-10-14(21)20-16(23)19-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H2,19,20,21,23)
InChIKeyVFYLNSLIYHCARK-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.42
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954163) has the molecular formula C16H20FN3O6S and a molecular weight of 401.42 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954163
Molecular FormulaC16H20FN3O6S
Molecular Weight401.42 g/mol
Exact Mass401.11
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H20FN3O6S/c17-11-5-7-13(8-6-11)27(24,25)18-9-15(22)26-10-14(21)20-16(23)19-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H2,19,20,21,23)
InChIKeyVFYLNSLIYHCARK-UHFFFAOYSA-N
XLogP0.42
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-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

[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883785
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663810
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 8634039
[2-(butylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954138
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323822
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954163) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is VFYLNSLIYHCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O6S/c17-11-5-7-13(8-6-11)27(24,25)18-9-15(22)26-10-14(21)20-16(23)19-12-3-1-2-4-12/h5-8,12,18H,1-4,9-10H2,(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 401.42 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).