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

C19H22N2O6S2 — CID 3658108

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S2/c1-14-2-3-16(11-17(14)29(24,25)21-5-7-26-8-6-21)20-18(22)12-27-19(23)10-15-4-9-28-13-15/h2-4,9,11,13H,5-8,10,12H2,1H3,(H,20,22)
InChIKeyGTZWVHOTMMFHMR-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.80
Rot. Bonds7

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

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 3658108) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID3658108
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O6S2/c1-14-2-3-16(11-17(14)29(24,25)21-5-7-26-8-6-21)20-18(22)12-27-19(23)10-15-4-9-28-13-15/h2-4,9,11,13H,5-8,10,12H2,1H3,(H,20,22)
InChIKeyGTZWVHOTMMFHMR-UHFFFAOYSA-N
XLogP1.80
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 3658108) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is GTZWVHOTMMFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-14-2-3-16(11-17(14)29(24,25)21-5-7-26-8-6-21)20-18(22)12-27-19(23)10-15-4-9-28-13-15/h2-4,9,11,13H,5-8,10,12H2,1H3,(H,20,22).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 438.53 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 3658108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).