methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate

C18H18FNO5S — CID 4992709

IUPACmethyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18FNO5S/c1-12(21)14-5-9-16(10-6-14)26(23,24)20-17(18(22)25-2)11-13-3-7-15(19)8-4-13/h3-10,17,20H,11H2,1-2H3
InChIKeyVCUCHFAMFYLGDN-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.09
Rot. Bonds7

About methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate

methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate (PubChem CID 4992709) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
PubChem CID4992709
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Namemethyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H18FNO5S/c1-12(21)14-5-9-16(10-6-14)26(23,24)20-17(18(22)25-2)11-13-3-7-15(19)8-4-13/h3-10,17,20H,11H2,1-2H3
InChIKeyVCUCHFAMFYLGDN-UHFFFAOYSA-N
XLogP2.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate 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 methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate?
The IUPAC name of methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate (CID 4992709) is methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate is COC(=O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate?
The InChIKey is VCUCHFAMFYLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c1-12(21)14-5-9-16(10-6-14)26(23,24)20-17(18(22)25-2)11-13-3-7-15(19)8-4-13/h3-10,17,20H,11H2,1-2H3.
What are the key properties of methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate?
methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate has a molecular weight of 379.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 4992709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).