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

C18H20N2O6S2 — CID 18229568

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N2O6S2/c21-17(13-26-18(22)12-15-4-2-10-27-15)19-14-3-1-5-16(11-14)28(23,24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12-13H2,(H,19,21)
InChIKeyBLNBVRSKICKOFH-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.49
Rot. Bonds7

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

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 18229568) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID18229568
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N2O6S2/c21-17(13-26-18(22)12-15-4-2-10-27-15)19-14-3-1-5-16(11-14)28(23,24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12-13H2,(H,19,21)
InChIKeyBLNBVRSKICKOFH-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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Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (CID 18229568) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is BLNBVRSKICKOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c21-17(13-26-18(22)12-15-4-2-10-27-15)19-14-3-1-5-16(11-14)28(23,24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12-13H2,(H,19,21).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-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-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 18229568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).