[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C19H22N2O6S2 — CID 4027033

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C19H22N2O6S2/c1-14-2-3-16(29(24,25)21-5-7-26-8-6-21)11-17(14)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)
InChIKeyINQAWBFDRFNGQV-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.80
Rot. Bonds7

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 4027033) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID4027033
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C19H22N2O6S2/c1-14-2-3-16(29(24,25)21-5-7-26-8-6-21)11-17(14)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)
InChIKeyINQAWBFDRFNGQV-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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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3962011
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4256886
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4878304
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5176676
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 6520257

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 4027033) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is INQAWBFDRFNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-14-2-3-16(29(24,25)21-5-7-26-8-6-21)11-17(14)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-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-methyl-5-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-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 4027033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).