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

C18H20N2O6S2 — CID 2432504

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O6S2/c21-17(12-26-18(22)11-14-5-10-27-13-14)19-15-1-3-16(4-2-15)28(23,24)20-6-8-25-9-7-20/h1-5,10,13H,6-9,11-12H2,(H,19,21)
InChIKeyZAJMFUAKZGOSJF-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.49
Rot. Bonds7

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

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2432504) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2432504
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O6S2/c21-17(12-26-18(22)11-14-5-10-27-13-14)19-15-1-3-16(4-2-15)28(23,24)20-6-8-25-9-7-20/h1-5,10,13H,6-9,11-12H2,(H,19,21)
InChIKeyZAJMFUAKZGOSJF-UHFFFAOYSA-N
XLogP1.49
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
CID 2104995
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[2-oxo-2-(4-sulfamoylanilino)ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2385410
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 2931550
[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-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2432504) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is ZAJMFUAKZGOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c21-17(12-26-18(22)11-14-5-10-27-13-14)19-15-1-3-16(4-2-15)28(23,24)20-6-8-25-9-7-20/h1-5,10,13H,6-9,11-12H2,(H,19,21).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 424.50 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).