[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

C17H18N2O6S2 — CID 2642213

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-2-1-11-26-15)18-13-3-5-14(6-4-13)27(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10,12H2,(H,18,20)
InChIKeyWVCAFFQUSXDTEF-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.56
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2642213) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2642213
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-2-1-11-26-15)18-13-3-5-14(6-4-13)27(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10,12H2,(H,18,20)
InChIKeyWVCAFFQUSXDTEF-UHFFFAOYSA-N
XLogP1.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2642213) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is WVCAFFQUSXDTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-2-1-11-26-15)18-13-3-5-14(6-4-13)27(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10,12H2,(H,18,20).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 1.56, 6 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] thiophene-2-carboxylate is sourced from PubChem (CID 2642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).