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

C17H18N2O7S — CID 2391025

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O7S/c20-16(12-26-17(21)15-2-1-9-25-15)18-13-3-5-14(6-4-13)27(22,23)19-7-10-24-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20)
InChIKeyHFOFJAOIIRAMQL-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.10
Rot. Bonds6

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

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2391025) has the molecular formula C17H18N2O7S and a molecular weight of 394.41 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2391025
Molecular FormulaC17H18N2O7S
Molecular Weight394.41 g/mol
Exact Mass394.08
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O7S/c20-16(12-26-17(21)15-2-1-9-25-15)18-13-3-5-14(6-4-13)27(22,23)19-7-10-24-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20)
InChIKeyHFOFJAOIIRAMQL-UHFFFAOYSA-N
XLogP1.10
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966286
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate (CID 2391025) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is HFOFJAOIIRAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7S/c20-16(12-26-17(21)15-2-1-9-25-15)18-13-3-5-14(6-4-13)27(22,23)19-7-10-24-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 1.10, 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] furan-2-carboxylate is sourced from PubChem (CID 2391025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).