[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C18H19FN2O7S — CID 18277563

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NCc1ccco1
InChIInChI=1S/C18H19FN2O7S/c19-16-4-3-14(29(24,25)21-5-8-26-9-6-21)10-15(16)18(23)28-12-17(22)20-11-13-2-1-7-27-13/h1-4,7,10H,5-6,8-9,11-12H2,(H,20,22)
InChIKeyNTJBNIZAUUNXJT-UHFFFAOYSA-N
MW426.42 g/mol
LogP0.91
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 18277563) has the molecular formula C18H19FN2O7S and a molecular weight of 426.42 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID18277563
Molecular FormulaC18H19FN2O7S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NCc1ccco1
InChIInChI=1S/C18H19FN2O7S/c19-16-4-3-14(29(24,25)21-5-8-26-9-6-21)10-15(16)18(23)28-12-17(22)20-11-13-2-1-7-27-13/h1-4,7,10H,5-6,8-9,11-12H2,(H,20,22)
InChIKeyNTJBNIZAUUNXJT-UHFFFAOYSA-N
XLogP0.91
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 18277563) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NTJBNIZAUUNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O7S/c19-16-4-3-14(29(24,25)21-5-8-26-9-6-21)10-15(16)18(23)28-12-17(22)20-11-13-2-1-7-27-13/h1-4,7,10H,5-6,8-9,11-12H2,(H,20,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 426.42 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 18277563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).