[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

C16H20FN3O6S — CID 8600824

IUPAC[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O6S/c1-20(9-14(21)19-12-5-6-12)15(22)10-26-16(23)8-18-27(24,25)13-4-2-3-11(17)7-13/h2-4,7,12,18H,5-6,8-10H2,1H3,(H,19,21)
InChIKeyPWBPJKMOMDHFIF-UHFFFAOYSA-N
MW401.42 g/mol
LogP-0.62
Rot. Bonds9

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

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (PubChem CID 8600824) has the molecular formula C16H20FN3O6S and a molecular weight of 401.42 g/mol. Its IUPAC name is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
PubChem CID8600824
Molecular FormulaC16H20FN3O6S
Molecular Weight401.42 g/mol
Exact Mass401.11
IUPAC Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O6S/c1-20(9-14(21)19-12-5-6-12)15(22)10-26-16(23)8-18-27(24,25)13-4-2-3-11(17)7-13/h2-4,7,12,18H,5-6,8-10H2,1H3,(H,19,21)
InChIKeyPWBPJKMOMDHFIF-UHFFFAOYSA-N
XLogP-0.62
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-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

[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961583
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 9437557
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 8600738
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417359
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 9414507
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 9492559
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (CID 8600824) is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is CN(CC(=O)NC1CC1)C(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is PWBPJKMOMDHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O6S/c1-20(9-14(21)19-12-5-6-12)15(22)10-26-16(23)8-18-27(24,25)13-4-2-3-11(17)7-13/h2-4,7,12,18H,5-6,8-10H2,1H3,(H,19,21).
What are the key properties of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 401.42 g/mol, XLogP of -0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 8600824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).