[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate

C19H28N2O7S — CID 3390903

IUPAC[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C19H28N2O7S/c1-4-14(5-2)19(23)28-13-18(22)20-16-7-6-15(12-17(16)26-3)29(24,25)21-8-10-27-11-9-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyDIGCBLLMYZQBFW-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.63
Rot. Bonds9

About [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate (PubChem CID 3390903) has the molecular formula C19H28N2O7S and a molecular weight of 428.51 g/mol. Its IUPAC name is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate.

Molecular Properties

Compound Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate
PubChem CID3390903
Molecular FormulaC19H28N2O7S
Molecular Weight428.51 g/mol
Exact Mass428.16
IUPAC Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C19H28N2O7S/c1-4-14(5-2)19(23)28-13-18(22)20-16-7-6-15(12-17(16)26-3)29(24,25)21-8-10-27-11-9-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyDIGCBLLMYZQBFW-UHFFFAOYSA-N
XLogP1.63
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate?
The IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate (CID 3390903) is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate.
What is the SMILES notation for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate?
The canonical SMILES for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate is CCC(CC)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate?
The InChIKey is DIGCBLLMYZQBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O7S/c1-4-14(5-2)19(23)28-13-18(22)20-16-7-6-15(12-17(16)26-3)29(24,25)21-8-10-27-11-9-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,22).
What are the key properties of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate?
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate has a molecular weight of 428.51 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate is sourced from PubChem (CID 3390903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).