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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Related Compounds

2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 39663609
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 121193277
methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
CID 122162633
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90625226
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674

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).