[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate

C22H26N2O6S — CID 3624923

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O6S/c1-17-7-9-19(15-20(17)31(27,28)24-11-13-29-14-12-24)23-21(25)16-30-22(26)10-8-18-5-3-2-4-6-18/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,25)
InChIKeyQYIFLLCVDATSMA-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.13
Rot. Bonds8

About [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 3624923) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
PubChem CID3624923
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O6S/c1-17-7-9-19(15-20(17)31(27,28)24-11-13-29-14-12-24)23-21(25)16-30-22(26)10-8-18-5-3-2-4-6-18/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,25)
InChIKeyQYIFLLCVDATSMA-UHFFFAOYSA-N
XLogP2.13
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3992685
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6520380
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
N-(4-cyanophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2078883
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2572944

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate (CID 3624923) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate is Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is QYIFLLCVDATSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-17-7-9-19(15-20(17)31(27,28)24-11-13-29-14-12-24)23-21(25)16-30-22(26)10-8-18-5-3-2-4-6-18/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,25).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 446.53 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 3624923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).