(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate

C24H28N2O7S — CID 47012023

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H28N2O7S/c27-22(20-6-2-1-3-7-20)9-10-23(28)25-12-11-24(29)33-18-19-5-4-8-21(17-19)34(30,31)26-13-15-32-16-14-26/h1-8,17H,9-16,18H2,(H,25,28)
InChIKeySNWOAEJVUMXTDZ-UHFFFAOYSA-N
MW488.56 g/mol
LogP1.92
Rot. Bonds11

About (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate

(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate (PubChem CID 47012023) has the molecular formula C24H28N2O7S and a molecular weight of 488.56 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
PubChem CID47012023
Molecular FormulaC24H28N2O7S
Molecular Weight488.56 g/mol
Exact Mass488.16
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H28N2O7S/c27-22(20-6-2-1-3-7-20)9-10-23(28)25-12-11-24(29)33-18-19-5-4-8-21(17-19)34(30,31)26-13-15-32-16-14-26/h1-8,17H,9-16,18H2,(H,25,28)
InChIKeySNWOAEJVUMXTDZ-UHFFFAOYSA-N
XLogP1.92
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate
CID 42982212
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42982189
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 22830492
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate (CID 47012023) is (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate is O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The InChIKey is SNWOAEJVUMXTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7S/c27-22(20-6-2-1-3-7-20)9-10-23(28)25-12-11-24(29)33-18-19-5-4-8-21(17-19)34(30,31)26-13-15-32-16-14-26/h1-8,17H,9-16,18H2,(H,25,28).
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate has a molecular weight of 488.56 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate is sourced from PubChem (CID 47012023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).