[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate

C23H22N2O7S — CID 26985381

IUPAC[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccoc1
InChIInChI=1S/C23H22N2O7S/c26-22(21(17-5-2-1-3-6-17)32-23(27)18-9-12-31-16-18)24-19-7-4-8-20(15-19)33(28,29)25-10-13-30-14-11-25/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26)/t21-/m1/s1
InChIKeySDAMUEOWSKYMGL-OAQYLSRUSA-N
MW470.50 g/mol
LogP2.84
Rot. Bonds7

About [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate

[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate (PubChem CID 26985381) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
PubChem CID26985381
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccoc1
InChIInChI=1S/C23H22N2O7S/c26-22(21(17-5-2-1-3-6-17)32-23(27)18-9-12-31-16-18)24-19-7-4-8-20(15-19)33(28,29)25-10-13-30-14-11-25/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26)/t21-/m1/s1
InChIKeySDAMUEOWSKYMGL-OAQYLSRUSA-N
XLogP2.84
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 98387255
[(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-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41000605
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 30729039
[(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
(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40814254
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate?
The IUPAC name of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate (CID 26985381) is [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate.
What is the SMILES notation for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate?
The canonical SMILES for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate is O=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccoc1.
What is the InChIKey of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate?
The InChIKey is SDAMUEOWSKYMGL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N2O7S/c26-22(21(17-5-2-1-3-6-17)32-23(27)18-9-12-31-16-18)24-19-7-4-8-20(15-19)33(28,29)25-10-13-30-14-11-25/h1-9,12,15-16,21H,10-11,13-14H2,(H,24,26)/t21-/m1/s1.
What are the key properties of [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate?
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate has a molecular weight of 470.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate is sourced from PubChem (CID 26985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).