N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C17H15FN2O4S — CID 2094211

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S/c18-13-7-5-12(6-8-13)9-10-19-16(21)11-20-17(22)14-3-1-2-4-15(14)25(20,23)24/h1-8H,9-11H2,(H,19,21)
InChIKeyXGGYAPCRIUYGRO-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 2094211) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID2094211
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S/c18-13-7-5-12(6-8-13)9-10-19-16(21)11-20-17(22)14-3-1-2-4-15(14)25(20,23)24/h1-8H,9-11H2,(H,19,21)
InChIKeyXGGYAPCRIUYGRO-UHFFFAOYSA-N
XLogP1.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide 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 N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 2094211) is N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is XGGYAPCRIUYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c18-13-7-5-12(6-8-13)9-10-19-16(21)11-20-17(22)14-3-1-2-4-15(14)25(20,23)24/h1-8H,9-11H2,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2094211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).