[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

C21H24N2O6S — CID 3903788

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O6S/c1-16-7-8-18(30(26,27)23-9-11-28-12-10-23)14-19(16)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)
InChIKeyWHQRLGODLNDDTA-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.74
Rot. Bonds7

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 3903788) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID3903788
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O6S/c1-16-7-8-18(30(26,27)23-9-11-28-12-10-23)14-19(16)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)
InChIKeyWHQRLGODLNDDTA-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

Analyze [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (CID 3903788) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is WHQRLGODLNDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-16-7-8-18(30(26,27)23-9-11-28-12-10-23)14-19(16)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-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(2-methyl-5-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-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 3903788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).