ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate

C20H24FNO4S — CID 4171323

IUPACethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H24FNO4S/c1-4-26-20(23)14-22(13-16-5-9-18(21)10-6-16)27(24,25)19-11-7-17(8-12-19)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyKAYXJAOKWSCXAH-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.70
Rot. Bonds8

About ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate

ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate (PubChem CID 4171323) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate
PubChem CID4171323
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Nameethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H24FNO4S/c1-4-26-20(23)14-22(13-16-5-9-18(21)10-6-16)27(24,25)19-11-7-17(8-12-19)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyKAYXJAOKWSCXAH-UHFFFAOYSA-N
XLogP3.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate (CID 4171323) is ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate is CCOC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate?
The InChIKey is KAYXJAOKWSCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-4-26-20(23)14-22(13-16-5-9-18(21)10-6-16)27(24,25)19-11-7-17(8-12-19)15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate?
ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate has a molecular weight of 393.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4171323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).