methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate

C14H16N2O6S2 — CID 90625207

IUPACmethyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C14H16N2O6S2/c1-22-14(19)13-11(5-7-23-13)24(20,21)15-8-10(17)9-16-6-3-2-4-12(16)18/h2-7,10,15,17H,8-9H2,1H3
InChIKeySALWURGZSOXVBW-UHFFFAOYSA-N
MW372.42 g/mol
LogP0.04
Rot. Bonds7

About methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 90625207) has the molecular formula C14H16N2O6S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID90625207
Molecular FormulaC14H16N2O6S2
Molecular Weight372.42 g/mol
Exact Mass372.04
IUPAC Namemethyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C14H16N2O6S2/c1-22-14(19)13-11(5-7-23-13)24(20,21)15-8-10(17)9-16-6-3-2-4-12(16)18/h2-7,10,15,17H,8-9H2,1H3
InChIKeySALWURGZSOXVBW-UHFFFAOYSA-N
XLogP0.04
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate (CID 90625207) is methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCC(O)Cn1ccccc1=O.
What is the InChIKey of methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SALWURGZSOXVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S2/c1-22-14(19)13-11(5-7-23-13)24(20,21)15-8-10(17)9-16-6-3-2-4-12(16)18/h2-7,10,15,17H,8-9H2,1H3.
What are the key properties of methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 90625207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).