methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate

C14H16N4O7S — CID 2742942

IUPACmethyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NN(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O7S/c1-8-12(14(19)24-4)13(9(2)25-8)26(22,23)16-17(3)11-6-5-10(7-15-11)18(20)21/h5-7,16H,1-4H3
InChIKeyUXQYOOZRTIDDIJ-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.32
Rot. Bonds6

About methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate

methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate (PubChem CID 2742942) has the molecular formula C14H16N4O7S and a molecular weight of 384.37 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate
PubChem CID2742942
Molecular FormulaC14H16N4O7S
Molecular Weight384.37 g/mol
Exact Mass384.07
IUPAC Namemethyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NN(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O7S/c1-8-12(14(19)24-4)13(9(2)25-8)26(22,23)16-17(3)11-6-5-10(7-15-11)18(20)21/h5-7,16H,1-4H3
InChIKeyUXQYOOZRTIDDIJ-UHFFFAOYSA-N
XLogP1.32
TPSA144.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate (CID 2742942) is methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NN(C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate?
The InChIKey is UXQYOOZRTIDDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O7S/c1-8-12(14(19)24-4)13(9(2)25-8)26(22,23)16-17(3)11-6-5-10(7-15-11)18(20)21/h5-7,16H,1-4H3.
What are the key properties of methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate has a molecular weight of 384.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 2742942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).