N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

C20H22F3NO5S — CID 4243756

IUPACN-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOCCN(CCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO5S/c1-28-13-11-24(19(25)15-3-5-16(6-4-15)20(21,22)23)12-14-29-17-7-9-18(10-8-17)30(2,26)27/h3-10H,11-14H2,1-2H3
InChIKeyZDRQCSNMGHRCBE-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.28
Rot. Bonds9

About N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 4243756) has the molecular formula C20H22F3NO5S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID4243756
Molecular FormulaC20H22F3NO5S
Molecular Weight445.46 g/mol
Exact Mass445.12
IUPAC NameN-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOCCN(CCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO5S/c1-28-13-11-24(19(25)15-3-5-16(6-4-15)20(21,22)23)12-14-29-17-7-9-18(10-8-17)30(2,26)27/h3-10H,11-14H2,1-2H3
InChIKeyZDRQCSNMGHRCBE-UHFFFAOYSA-N
XLogP3.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide 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-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (CID 4243756) is N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is COCCN(CCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZDRQCSNMGHRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO5S/c1-28-13-11-24(19(25)15-3-5-16(6-4-15)20(21,22)23)12-14-29-17-7-9-18(10-8-17)30(2,26)27/h3-10H,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 445.46 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4243756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).