[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate

C26H23F3N2O6S — CID 98387255

IUPAC[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H23F3N2O6S/c27-26(28,29)20-11-9-19(10-12-20)25(33)37-23(18-5-2-1-3-6-18)24(32)30-21-7-4-8-22(17-21)38(34,35)31-13-15-36-16-14-31/h1-12,17,23H,13-16H2,(H,30,32)/t23-/m1/s1
InChIKeyAOWIIHZCSJJEFF-HSZRJFAPSA-N
MW548.54 g/mol
LogP4.26
Rot. Bonds7

About [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate

[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate (PubChem CID 98387255) has the molecular formula C26H23F3N2O6S and a molecular weight of 548.54 g/mol. Its IUPAC name is [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
PubChem CID98387255
Molecular FormulaC26H23F3N2O6S
Molecular Weight548.54 g/mol
Exact Mass548.12
IUPAC Name[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H23F3N2O6S/c27-26(28,29)20-11-9-19(10-12-20)25(33)37-23(18-5-2-1-3-6-18)24(32)30-21-7-4-8-22(17-21)38(34,35)31-13-15-36-16-14-31/h1-12,17,23H,13-16H2,(H,30,32)/t23-/m1/s1
InChIKeyAOWIIHZCSJJEFF-HSZRJFAPSA-N
XLogP4.26
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate with MolForge

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Related Compounds

[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
CID 26985381
[(1S)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 98386271
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 3628990
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521687
1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41000605
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 26005872
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate (CID 98387255) is [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate is O=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate?
The InChIKey is AOWIIHZCSJJEFF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23F3N2O6S/c27-26(28,29)20-11-9-19(10-12-20)25(33)37-23(18-5-2-1-3-6-18)24(32)30-21-7-4-8-22(17-21)38(34,35)31-13-15-36-16-14-31/h1-12,17,23H,13-16H2,(H,30,32)/t23-/m1/s1.
What are the key properties of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate?
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate has a molecular weight of 548.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 98387255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).