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

C21H24N2O6S — CID 4042472

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-16-7-8-18(14-19(16)30(26,27)23-9-11-28-12-10-23)22-20(24)15-29-21(25)13-17-5-3-2-4-6-17/h2-8,14H,9-13,15H2,1H3,(H,22,24)
InChIKeyDEMQHYZHUFRYEQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.74
Rot. Bonds7

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

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 4042472) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID4042472
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-16-7-8-18(14-19(16)30(26,27)23-9-11-28-12-10-23)22-20(24)15-29-21(25)13-17-5-3-2-4-6-17/h2-8,14H,9-13,15H2,1H3,(H,22,24)
InChIKeyDEMQHYZHUFRYEQ-UHFFFAOYSA-N
XLogP1.74
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.74
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-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-(4-methylanilino)-2-oxoethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 2998169
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
CID 3473129
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 3498913

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (CID 4042472) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is Cc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is DEMQHYZHUFRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-16-7-8-18(14-19(16)30(26,27)23-9-11-28-12-10-23)22-20(24)15-29-21(25)13-17-5-3-2-4-6-17/h2-8,14H,9-13,15H2,1H3,(H,22,24).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 432.50 g/mol, XLogP of 1.74, 7 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] 2-phenylacetate is sourced from PubChem (CID 4042472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).