4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

C20H21F3N2O5S — CID 30865968

IUPAC4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O5S/c21-20(22,23)16-2-1-3-17(14-16)30-11-8-24-19(26)15-4-6-18(7-5-15)31(27,28)25-9-12-29-13-10-25/h1-7,14H,8-13H2,(H,24,26)
InChIKeyMGWJFTFIPGZQLW-UHFFFAOYSA-N
MW458.46 g/mol
LogP2.54
Rot. Bonds7

About 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (PubChem CID 30865968) has the molecular formula C20H21F3N2O5S and a molecular weight of 458.46 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
PubChem CID30865968
Molecular FormulaC20H21F3N2O5S
Molecular Weight458.46 g/mol
Exact Mass458.11
IUPAC Name4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21F3N2O5S/c21-20(22,23)16-2-1-3-17(14-16)30-11-8-24-19(26)15-4-6-18(7-5-15)31(27,28)25-9-12-29-13-10-25/h1-7,14H,8-13H2,(H,24,26)
InChIKeyMGWJFTFIPGZQLW-UHFFFAOYSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide 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

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 30125791
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
4-piperidin-1-ylsulfonyl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575908
1-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803251
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
4-morpholin-4-ylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498022
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 163347502

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (CID 30865968) is 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The InChIKey is MGWJFTFIPGZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O5S/c21-20(22,23)16-2-1-3-17(14-16)30-11-8-24-19(26)15-4-6-18(7-5-15)31(27,28)25-9-12-29-13-10-25/h1-7,14H,8-13H2,(H,24,26).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is sourced from PubChem (CID 30865968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).