diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate

C14H19NO7S — CID 108782629

IUPACdiethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NS(=O)(=O)C2CC2)c1C(=O)OCC
InChIInChI=1S/C14H19NO7S/c1-4-20-13(16)10-8(3)22-12(11(10)14(17)21-5-2)15-23(18,19)9-6-7-9/h9,15H,4-7H2,1-3H3
InChIKeyDOGFIQJQUJWKDX-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.85
Rot. Bonds7

About diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate

diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate (PubChem CID 108782629) has the molecular formula C14H19NO7S and a molecular weight of 345.37 g/mol. Its IUPAC name is diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate
PubChem CID108782629
Molecular FormulaC14H19NO7S
Molecular Weight345.37 g/mol
Exact Mass345.09
IUPAC Namediethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NS(=O)(=O)C2CC2)c1C(=O)OCC
InChIInChI=1S/C14H19NO7S/c1-4-20-13(16)10-8(3)22-12(11(10)14(17)21-5-2)15-23(18,19)9-6-7-9/h9,15H,4-7H2,1-3H3
InChIKeyDOGFIQJQUJWKDX-UHFFFAOYSA-N
XLogP1.85
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
diethyl 2-methyl-5-[(2,2,2-trichloroacetyl)amino]furan-3,4-dicarboxylate
CID 108739417
diethyl 2-[(2-cyanoacetyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762117
diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
CID 108739449
ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
CID 108741022
ethyl 4-acetyl-2-(cyclohexylcarbamothioylamino)-5-methylfuran-3-carboxylate
CID 108782926
ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 108733749
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
CID 8557699
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
diethyl 2-methyl-5-(2-nitro-4-sulfamoylanilino)furan-3,4-dicarboxylate
CID 108776162

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate (CID 108782629) is diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NS(=O)(=O)C2CC2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate?
The InChIKey is DOGFIQJQUJWKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO7S/c1-4-20-13(16)10-8(3)22-12(11(10)14(17)21-5-2)15-23(18,19)9-6-7-9/h9,15H,4-7H2,1-3H3.
What are the key properties of diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate?
diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate has a molecular weight of 345.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108782629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).