1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea

C15H19F4N3O4S — CID 166182282

IUPAC1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H19F4N3O4S/c16-12-2-1-11(13(9-12)15(17,18)19)10-21-14(23)20-3-8-27(24,25)22-4-6-26-7-5-22/h1-2,9H,3-8,10H2,(H2,20,21,23)
InChIKeyJRFLVTQKDWWFCC-UHFFFAOYSA-N
MW413.39 g/mol
LogP1.31
Rot. Bonds6

About 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea (PubChem CID 166182282) has the molecular formula C15H19F4N3O4S and a molecular weight of 413.39 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea
PubChem CID166182282
Molecular FormulaC15H19F4N3O4S
Molecular Weight413.39 g/mol
Exact Mass413.10
IUPAC Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H19F4N3O4S/c16-12-2-1-11(13(9-12)15(17,18)19)10-21-14(23)20-3-8-27(24,25)22-4-6-26-7-5-22/h1-2,9H,3-8,10H2,(H2,20,21,23)
InChIKeyJRFLVTQKDWWFCC-UHFFFAOYSA-N
XLogP1.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea with MolForge

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 111902403
1-butylsulfonyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 166184399
(3R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956670
(3S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51956669
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166185352
1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide
CID 110626715
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111889701
1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111876852
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-piperidin-1-ylphenyl)urea
CID 55696395

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea?
The IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea (CID 166182282) is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea.
What is the SMILES notation for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea?
The canonical SMILES for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea is O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea?
The InChIKey is JRFLVTQKDWWFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O4S/c16-12-2-1-11(13(9-12)15(17,18)19)10-21-14(23)20-3-8-27(24,25)22-4-6-26-7-5-22/h1-2,9H,3-8,10H2,(H2,20,21,23).
What are the key properties of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea?
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea has a molecular weight of 413.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea is sourced from PubChem (CID 166182282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).