N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide

C21H15F3N2O4S — CID 4749818

IUPACN-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C21H15F3N2O4S/c1-11(27)12-2-4-13(5-3-12)25-19(28)9-31-20-7-15(21(22,23)24)14-6-17-18(30-10-29-17)8-16(14)26-20/h2-8H,9-10H2,1H3,(H,25,28)
InChIKeyIUYIZZPRAICNGC-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.92
Rot. Bonds5

About N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide

N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide (PubChem CID 4749818) has the molecular formula C21H15F3N2O4S and a molecular weight of 448.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide
PubChem CID4749818
Molecular FormulaC21H15F3N2O4S
Molecular Weight448.42 g/mol
Exact Mass448.07
IUPAC NameN-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C21H15F3N2O4S/c1-11(27)12-2-4-13(5-3-12)25-19(28)9-31-20-7-15(21(22,23)24)14-6-17-18(30-10-29-17)8-16(14)26-20/h2-8H,9-10H2,1H3,(H,25,28)
InChIKeyIUYIZZPRAICNGC-UHFFFAOYSA-N
XLogP4.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]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-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide (CID 4749818) is N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide?
The InChIKey is IUYIZZPRAICNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4S/c1-11(27)12-2-4-13(5-3-12)25-19(28)9-31-20-7-15(21(22,23)24)14-6-17-18(30-10-29-17)8-16(14)26-20/h2-8H,9-10H2,1H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide has a molecular weight of 448.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 4749818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).