(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C18H20N2O6S2 — CID 3466438

IUPAC(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1
InChIInChI=1S/C18H20N2O6S2/c21-16(19-14-4-2-1-3-5-14)13-26-17(22)12-15-6-7-18(27-15)28(23,24)20-8-10-25-11-9-20/h1-7H,8-13H2,(H,19,21)
InChIKeyJEALYXQQCRKBTN-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.49
Rot. Bonds7

About (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 3466438) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID3466438
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Name(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1
InChIInChI=1S/C18H20N2O6S2/c21-16(19-14-4-2-1-3-5-14)13-26-17(22)12-15-6-7-18(27-15)28(23,24)20-8-10-25-11-9-20/h1-7H,8-13H2,(H,19,21)
InChIKeyJEALYXQQCRKBTN-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-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
[2-oxo-2-(4-sulfamoylanilino)ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2385410
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4118926
[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-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 3466438) is (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is JEALYXQQCRKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c21-16(19-14-4-2-1-3-5-14)13-26-17(22)12-15-6-7-18(27-15)28(23,24)20-8-10-25-11-9-20/h1-7H,8-13H2,(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
(2-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate 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-anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 3466438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).