methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate

C14H20N2O6S — CID 138013323

IUPACmethyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)C2(S(N)(=O)=O)CCC2)oc1C
InChIInChI=1S/C14H20N2O6S/c1-9-11(12(17)21-3)7-10(22-9)8-16(2)13(18)14(5-4-6-14)23(15,19)20/h7H,4-6,8H2,1-3H3,(H2,15,19,20)
InChIKeyRHURLFNLIUWMMT-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.54
Rot. Bonds5

About methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 138013323) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate
PubChem CID138013323
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namemethyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)C2(S(N)(=O)=O)CCC2)oc1C
InChIInChI=1S/C14H20N2O6S/c1-9-11(12(17)21-3)7-10(22-9)8-16(2)13(18)14(5-4-6-14)23(15,19)20/h7H,4-6,8H2,1-3H3,(H2,15,19,20)
InChIKeyRHURLFNLIUWMMT-UHFFFAOYSA-N
XLogP0.54
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 98706938
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 47990211
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
methyl 2-methyl-5-[[methyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484232
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161
5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687007

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate (CID 138013323) is methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)C2(S(N)(=O)=O)CCC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is RHURLFNLIUWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-9-11(12(17)21-3)7-10(22-9)8-16(2)13(18)14(5-4-6-14)23(15,19)20/h7H,4-6,8H2,1-3H3,(H2,15,19,20).
What are the key properties of methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 138013323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).