4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C10H13NO7S2 — CID 107216418

IUPAC4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H13NO7S2/c1-5-8(3-7(19-5)9(13)14)20(16,17)11-4-6(12)10(15)18-2/h3,6,11-12H,4H2,1-2H3,(H,13,14)
InChIKeyZSGWBEPCPOZSAD-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.43
Rot. Bonds6

About 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 107216418) has the molecular formula C10H13NO7S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID107216418
Molecular FormulaC10H13NO7S2
Molecular Weight323.35 g/mol
Exact Mass323.01
IUPAC Name4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H13NO7S2/c1-5-8(3-7(19-5)9(13)14)20(16,17)11-4-6(12)10(15)18-2/h3,6,11-12H,4H2,1-2H3,(H,13,14)
InChIKeyZSGWBEPCPOZSAD-UHFFFAOYSA-N
XLogP-0.43
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 112672388
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 107216418) is 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is COC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is ZSGWBEPCPOZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7S2/c1-5-8(3-7(19-5)9(13)14)20(16,17)11-4-6(12)10(15)18-2/h3,6,11-12H,4H2,1-2H3,(H,13,14).
What are the key properties of 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 107216418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).