[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

C22H26N2O7S — CID 29142216

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O7S/c1-17-2-6-19(7-3-17)30-13-10-22(26)31-16-21(25)23-18-4-8-20(9-5-18)32(27,28)24-11-14-29-15-12-24/h2-9H,10-16H2,1H3,(H,23,25)
InChIKeyJMBAULMCZZPURD-UHFFFAOYSA-N
MW462.52 g/mol
LogP1.97
Rot. Bonds9

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 29142216) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
PubChem CID29142216
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O7S/c1-17-2-6-19(7-3-17)30-13-10-22(26)31-16-21(25)23-18-4-8-20(9-5-18)32(27,28)24-11-14-29-15-12-24/h2-9H,10-16H2,1H3,(H,23,25)
InChIKeyJMBAULMCZZPURD-UHFFFAOYSA-N
XLogP1.97
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 43026583
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (CID 29142216) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is JMBAULMCZZPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-17-2-6-19(7-3-17)30-13-10-22(26)31-16-21(25)23-18-4-8-20(9-5-18)32(27,28)24-11-14-29-15-12-24/h2-9H,10-16H2,1H3,(H,23,25).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 462.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 29142216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).