[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C18H20N2O7S — CID 8966286

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O7S/c1-13-16(6-9-26-13)18(22)27-12-17(21)19-14-2-4-15(5-3-14)28(23,24)20-7-10-25-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyRYHYHOSHVZVSGF-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.40
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 8966286) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID8966286
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O7S/c1-13-16(6-9-26-13)18(22)27-12-17(21)19-14-2-4-15(5-3-14)28(23,24)20-7-10-25-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyRYHYHOSHVZVSGF-UHFFFAOYSA-N
XLogP1.40
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662936

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 8966286) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is RYHYHOSHVZVSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-13-16(6-9-26-13)18(22)27-12-17(21)19-14-2-4-15(5-3-14)28(23,24)20-7-10-25-11-8-20/h2-6,9H,7-8,10-12H2,1H3,(H,19,21).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 408.43 g/mol, XLogP of 1.40, 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] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8966286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).