2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide

C23H19ClF3NO7S — CID 146460243

IUPAC2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide
SMILESO=C(COCCOc1cc(C(F)(F)F)ccc1-c1cc(=O)c2cccc(Cl)c2o1)NS(=O)(=O)C1CC1
InChIInChI=1S/C23H19ClF3NO7S/c24-17-3-1-2-15-18(29)11-20(35-22(15)17)16-7-4-13(23(25,26)27)10-19(16)34-9-8-33-12-21(30)28-36(31,32)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,28,30)
InChIKeyVDEADZWIJZPQIH-UHFFFAOYSA-N
MW545.92 g/mol
LogP4.14
Rot. Bonds9

About 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide

2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide (PubChem CID 146460243) has the molecular formula C23H19ClF3NO7S and a molecular weight of 545.92 g/mol. Its IUPAC name is 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide
PubChem CID146460243
Molecular FormulaC23H19ClF3NO7S
Molecular Weight545.92 g/mol
Exact Mass545.05
IUPAC Name2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide
SMILESO=C(COCCOc1cc(C(F)(F)F)ccc1-c1cc(=O)c2cccc(Cl)c2o1)NS(=O)(=O)C1CC1
InChIInChI=1S/C23H19ClF3NO7S/c24-17-3-1-2-15-18(29)11-20(35-22(15)17)16-7-4-13(23(25,26)27)10-19(16)34-9-8-33-12-21(30)28-36(31,32)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,28,30)
InChIKeyVDEADZWIJZPQIH-UHFFFAOYSA-N
XLogP4.14
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide 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

1-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylsulfonylpyrrolidine-2-carboxamide
CID 154928263
8-chloro-2-[2-(3-cyclopropylsulfonylpropoxy)-4-(trifluoromethyl)phenyl]chromen-4-one
CID 165015800
2-[3-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]propylamino]ethanesulfonamide
CID 150660764
ethyl 5-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]pentanoate
CID 164987796
methyl 3-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]-2-hydroxypropanoate
CID 146460337
1-[2-[5-bromo-2-(8-chloro-4-oxochromen-2-yl)phenoxy]ethyl]-N-methylsulfonylpyrrolidine-2-carboxamide
CID 154928278
4-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethoxy)phenoxy]butanoic acid
CID 146460158
4-[2-(8-chloro-5-hydroxy-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]butanoic acid
CID 146460295
4-[2-[5-bromo-2-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]benzoic acid
CID 146460214
2-[4-bromo-2-[3-(oxan-4-ylamino)propoxy]phenyl]-8-chlorochromen-4-one
CID 175908638
(2S)-1-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-methylphenoxy]acetyl]-N-methylsulfonylpyrrolidine-2-carboxamide
CID 146460285
(3R)-1-[2-[5-bromo-2-(8-chloro-4-oxochromen-2-yl)phenoxy]ethyl]pyrrolidine-3-carboxylic acid
CID 154928289

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide?
The IUPAC name of 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide (CID 146460243) is 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide.
What is the SMILES notation for 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide?
The canonical SMILES for 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide is O=C(COCCOc1cc(C(F)(F)F)ccc1-c1cc(=O)c2cccc(Cl)c2o1)NS(=O)(=O)C1CC1.
What is the InChIKey of 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide?
The InChIKey is VDEADZWIJZPQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3NO7S/c24-17-3-1-2-15-18(29)11-20(35-22(15)17)16-7-4-13(23(25,26)27)10-19(16)34-9-8-33-12-21(30)28-36(31,32)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,28,30).
What are the key properties of 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide?
2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide has a molecular weight of 545.92 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(8-chloro-4-oxochromen-2-yl)-5-(trifluoromethyl)phenoxy]ethoxy]-N-cyclopropylsulfonylacetamide is sourced from PubChem (CID 146460243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).